data_16520 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16520 _Entry.Title ; Solution structure of humar Par-3b PDZ2 (residues 451-549) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-09-24 _Entry.Accession_date 2009-09-24 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 B. Volkman B. F. . 16520 2 R. Tyler R. C. . 16520 3 F. Peterson F. C. . 16520 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'PSI, Protein Structure Initiative' 'Center for Eukaryotic Genomics' . 16520 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Par-3b . 16520 'PDZ domain' . 16520 PSI . 16520 'Structural Genomics' . 16520 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16520 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 393 16520 '15N chemical shifts' 99 16520 '1H chemical shifts' 616 16520 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-05-20 2009-09-24 update BMRB 'complete entry citation' 16520 1 . . 2010-01-28 2009-09-24 original author 'original release' 16520 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KOM 'BMRB Entry Tracking System' 16520 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 16520 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20073081 _Citation.Full_citation . _Citation.Title 'Rapid, robotic, small-scale protein production for NMR screening and structure determination.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full 'Protein science : a publication of the Protein Society' _Citation.Journal_volume 19 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 570 _Citation.Page_last 578 _Citation.Year 2010 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Davin Jensen . R. . 16520 1 2 Christopher Woytovich . . . 16520 1 3 Margie Li . . . 16520 1 4 Petar Duvnjak . . . 16520 1 5 Michael Cassidy . S. . 16520 1 6 Ronnie Frederick . O. . 16520 1 7 Lai Bergeman . F. . 16520 1 8 Francis Peterson . C. . 16520 1 9 Brian Volkman . F. . 16520 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16520 _Assembly.ID 1 _Assembly.Name 'hPar3 PDZ2' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'hPar3 PDZ2' 1 $hPar-3_PDZ2 A . yes native no no . . . 16520 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hPar-3_PDZ2 _Entity.Sf_category entity _Entity.Sf_framecode hPar-3_PDZ2 _Entity.Entry_ID 16520 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name hPar-3_PDZ2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MRGSHHHHHHHHGSENLYFQ GSYNTKKIGKRLNIQLKKGT EGLGFSITSRDVTIGGSAPI YVKNILPRGAAIQDGRLKAG DRLIEVNGVDLVGKSQEEVV SLLRSTKMEGTVSLLVFRQE D ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 429-450 (MRGSHHHHHHHHGSENLYFQGS) are a octa-His tag that was not removed from the protein prior to structure determination.' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 121 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'hPar-3 PDZ2' _Entity.Mutation NONE _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13394.356 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16515 . mPar3_PDZ2 . . . . . 81.82 111 96.97 98.99 1.19e-60 . . . . 16520 1 2 no PDB 2KOJ . "Solution Structure Of Mouse Par-3 Pdz2 (Residues 450-558)" . . . . . 81.82 111 96.97 98.99 1.19e-60 . . . . 16520 1 3 no PDB 2KOM . "Solution Structure Of Humar Par-3b Pdz2 (Residues 451-549)" . . . . . 100.00 121 100.00 100.00 1.42e-80 . . . . 16520 1 4 no GB EPQ12192 . "Partitioning defective 3 like protein [Myotis brandtii]" . . . . . 81.82 593 97.98 98.99 5.23e-57 . . . . 16520 1 5 no REF XP_011836158 . "PREDICTED: partitioning defective 3 homolog, partial [Mandrillus leucophaeus]" . . . . . 81.82 434 98.99 98.99 1.57e-58 . . . . 16520 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 16520 1 2 . ARG . 16520 1 3 . GLY . 16520 1 4 . SER . 16520 1 5 . HIS . 16520 1 6 . HIS . 16520 1 7 . HIS . 16520 1 8 . HIS . 16520 1 9 . HIS . 16520 1 10 . HIS . 16520 1 11 . HIS . 16520 1 12 . HIS . 16520 1 13 . GLY . 16520 1 14 . SER . 16520 1 15 . GLU . 16520 1 16 . ASN . 16520 1 17 . LEU . 16520 1 18 . TYR . 16520 1 19 . PHE . 16520 1 20 . GLN . 16520 1 21 . GLY . 16520 1 22 . SER . 16520 1 23 . TYR . 16520 1 24 . ASN . 16520 1 25 . THR . 16520 1 26 . LYS . 16520 1 27 . LYS . 16520 1 28 . ILE . 16520 1 29 . GLY . 16520 1 30 . LYS . 16520 1 31 . ARG . 16520 1 32 . LEU . 16520 1 33 . ASN . 16520 1 34 . ILE . 16520 1 35 . GLN . 16520 1 36 . LEU . 16520 1 37 . LYS . 16520 1 38 . LYS . 16520 1 39 . GLY . 16520 1 40 . THR . 16520 1 41 . GLU . 16520 1 42 . GLY . 16520 1 43 . LEU . 16520 1 44 . GLY . 16520 1 45 . PHE . 16520 1 46 . SER . 16520 1 47 . ILE . 16520 1 48 . THR . 16520 1 49 . SER . 16520 1 50 . ARG . 16520 1 51 . ASP . 16520 1 52 . VAL . 16520 1 53 . THR . 16520 1 54 . ILE . 16520 1 55 . GLY . 16520 1 56 . GLY . 16520 1 57 . SER . 16520 1 58 . ALA . 16520 1 59 . PRO . 16520 1 60 . ILE . 16520 1 61 . TYR . 16520 1 62 . VAL . 16520 1 63 . LYS . 16520 1 64 . ASN . 16520 1 65 . ILE . 16520 1 66 . LEU . 16520 1 67 . PRO . 16520 1 68 . ARG . 16520 1 69 . GLY . 16520 1 70 . ALA . 16520 1 71 . ALA . 16520 1 72 . ILE . 16520 1 73 . GLN . 16520 1 74 . ASP . 16520 1 75 . GLY . 16520 1 76 . ARG . 16520 1 77 . LEU . 16520 1 78 . LYS . 16520 1 79 . ALA . 16520 1 80 . GLY . 16520 1 81 . ASP . 16520 1 82 . ARG . 16520 1 83 . LEU . 16520 1 84 . ILE . 16520 1 85 . GLU . 16520 1 86 . VAL . 16520 1 87 . ASN . 16520 1 88 . GLY . 16520 1 89 . VAL . 16520 1 90 . ASP . 16520 1 91 . LEU . 16520 1 92 . VAL . 16520 1 93 . GLY . 16520 1 94 . LYS . 16520 1 95 . SER . 16520 1 96 . GLN . 16520 1 97 . GLU . 16520 1 98 . GLU . 16520 1 99 . VAL . 16520 1 100 . VAL . 16520 1 101 . SER . 16520 1 102 . LEU . 16520 1 103 . LEU . 16520 1 104 . ARG . 16520 1 105 . SER . 16520 1 106 . THR . 16520 1 107 . LYS . 16520 1 108 . MET . 16520 1 109 . GLU . 16520 1 110 . GLY . 16520 1 111 . THR . 16520 1 112 . VAL . 16520 1 113 . SER . 16520 1 114 . LEU . 16520 1 115 . LEU . 16520 1 116 . VAL . 16520 1 117 . PHE . 16520 1 118 . ARG . 16520 1 119 . GLN . 16520 1 120 . GLU . 16520 1 121 . ASP . 16520 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 16520 1 . ARG 2 2 16520 1 . GLY 3 3 16520 1 . SER 4 4 16520 1 . HIS 5 5 16520 1 . HIS 6 6 16520 1 . HIS 7 7 16520 1 . HIS 8 8 16520 1 . HIS 9 9 16520 1 . HIS 10 10 16520 1 . HIS 11 11 16520 1 . HIS 12 12 16520 1 . GLY 13 13 16520 1 . SER 14 14 16520 1 . GLU 15 15 16520 1 . ASN 16 16 16520 1 . LEU 17 17 16520 1 . TYR 18 18 16520 1 . PHE 19 19 16520 1 . GLN 20 20 16520 1 . GLY 21 21 16520 1 . SER 22 22 16520 1 . TYR 23 23 16520 1 . ASN 24 24 16520 1 . THR 25 25 16520 1 . LYS 26 26 16520 1 . LYS 27 27 16520 1 . ILE 28 28 16520 1 . GLY 29 29 16520 1 . LYS 30 30 16520 1 . ARG 31 31 16520 1 . LEU 32 32 16520 1 . ASN 33 33 16520 1 . ILE 34 34 16520 1 . GLN 35 35 16520 1 . LEU 36 36 16520 1 . LYS 37 37 16520 1 . LYS 38 38 16520 1 . GLY 39 39 16520 1 . THR 40 40 16520 1 . GLU 41 41 16520 1 . GLY 42 42 16520 1 . LEU 43 43 16520 1 . GLY 44 44 16520 1 . PHE 45 45 16520 1 . SER 46 46 16520 1 . ILE 47 47 16520 1 . THR 48 48 16520 1 . SER 49 49 16520 1 . ARG 50 50 16520 1 . ASP 51 51 16520 1 . VAL 52 52 16520 1 . THR 53 53 16520 1 . ILE 54 54 16520 1 . GLY 55 55 16520 1 . GLY 56 56 16520 1 . SER 57 57 16520 1 . ALA 58 58 16520 1 . PRO 59 59 16520 1 . ILE 60 60 16520 1 . TYR 61 61 16520 1 . VAL 62 62 16520 1 . LYS 63 63 16520 1 . ASN 64 64 16520 1 . ILE 65 65 16520 1 . LEU 66 66 16520 1 . PRO 67 67 16520 1 . ARG 68 68 16520 1 . GLY 69 69 16520 1 . ALA 70 70 16520 1 . ALA 71 71 16520 1 . ILE 72 72 16520 1 . GLN 73 73 16520 1 . ASP 74 74 16520 1 . GLY 75 75 16520 1 . ARG 76 76 16520 1 . LEU 77 77 16520 1 . LYS 78 78 16520 1 . ALA 79 79 16520 1 . GLY 80 80 16520 1 . ASP 81 81 16520 1 . ARG 82 82 16520 1 . LEU 83 83 16520 1 . ILE 84 84 16520 1 . GLU 85 85 16520 1 . VAL 86 86 16520 1 . ASN 87 87 16520 1 . GLY 88 88 16520 1 . VAL 89 89 16520 1 . ASP 90 90 16520 1 . LEU 91 91 16520 1 . VAL 92 92 16520 1 . GLY 93 93 16520 1 . LYS 94 94 16520 1 . SER 95 95 16520 1 . GLN 96 96 16520 1 . GLU 97 97 16520 1 . GLU 98 98 16520 1 . VAL 99 99 16520 1 . VAL 100 100 16520 1 . SER 101 101 16520 1 . LEU 102 102 16520 1 . LEU 103 103 16520 1 . ARG 104 104 16520 1 . SER 105 105 16520 1 . THR 106 106 16520 1 . LYS 107 107 16520 1 . MET 108 108 16520 1 . GLU 109 109 16520 1 . GLY 110 110 16520 1 . THR 111 111 16520 1 . VAL 112 112 16520 1 . SER 113 113 16520 1 . LEU 114 114 16520 1 . LEU 115 115 16520 1 . VAL 116 116 16520 1 . PHE 117 117 16520 1 . ARG 118 118 16520 1 . GLN 119 119 16520 1 . GLU 120 120 16520 1 . ASP 121 121 16520 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 16520 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $hPar-3_PDZ2 . 9606 organism . 'Homo Sapiens' Human . . Eukaryota Metazoa Homo Sapiens . . . . . . . . . . . . . . . . hPar-3b . . . . 16520 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 16520 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $hPar-3_PDZ2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli SG130099[pREP4] . . . . . . . . . . . . . . . pQE30-8HT . . . . . . 16520 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16520 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.0 mM hPar3 PDZ2 (451-549) U-15N/13C, 20 mM sodium phosphate, 50 mM sodium chloride' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O, 10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'hPar-3 PDZ2' '[U-100% 13C; U-100% 15N]' . . 1 $hPar-3_PDZ2 . . 1 . . mM . . . . 16520 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16520 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16520 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16520 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16520 1 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 16520 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16520 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 53 . mM 16520 1 pH 6.5 . pH 16520 1 pressure 1 . atm 16520 1 temperature 298 . K 16520 1 stop_ save_ ############################ # Computer software used # ############################ save_Xplor-NIH _Software.Sf_category software _Software.Sf_framecode Xplor-NIH _Software.Entry_ID 16520 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version 2.9.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID SCHWIETERS,C.D.,KUSZEWSKI,J.J.,TJANDRA,N.,CLORE,G.M. . . 16520 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16520 1 stop_ save_ save_TopSpin _Software.Sf_category software _Software.Sf_framecode TopSpin _Software.Entry_ID 16520 _Software.ID 2 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 16520 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16520 2 stop_ save_ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 16520 _Software.ID 3 _Software.Name NMRPipe _Software.Version 2007 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delagio,F. et al.' . . 16520 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16520 3 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 16520 _Software.ID 4 _Software.Name XEASY _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Eccles, C., Guntert, P., Billeter, M., Wuthrich, K.' . . 16520 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16520 4 stop_ save_ save_GARANT _Software.Sf_category software _Software.Sf_framecode GARANT _Software.Entry_ID 16520 _Software.ID 5 _Software.Name GARANT _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'C. Bartels' . . 16520 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16520 5 stop_ save_ save_Cyana _Software.Sf_category software _Software.Sf_framecode Cyana _Software.Entry_ID 16520 _Software.ID 6 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 16520 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structural calculation' 16520 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16520 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16520 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker 'Avance III' . 500 . . . 16520 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 16520 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 3D_15N-separated_NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16520 1 2 3D_13C-separated_NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16520 1 3 '3D_13C-separated_NOESY (AROMATIC)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16520 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16520 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16520 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16520 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16520 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16520 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 16520 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16520 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16520 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16520 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.100 _Assigned_chem_shift_list.Chem_shift_15N_err 0.100 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 3D_15N-separated_NOESY . . . 16520 1 2 3D_13C-separated_NOESY . . . 16520 1 3 '3D_13C-separated_NOESY (AROMATIC)' . . . 16520 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 6 $Cyana . . 16520 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 23 23 TYR H H 1 8.164 0.02 . 1 . . . . 23 TYR H . 16520 1 2 . 1 1 23 23 TYR HD1 H 1 7.095 0.02 . 1 . . . . 23 TYR HD1 . 16520 1 3 . 1 1 23 23 TYR HD2 H 1 7.095 0.02 . 1 . . . . 23 TYR HD2 . 16520 1 4 . 1 1 23 23 TYR HE1 H 1 6.811 0.02 . 1 . . . . 23 TYR HE1 . 16520 1 5 . 1 1 23 23 TYR HE2 H 1 6.811 0.02 . 1 . . . . 23 TYR HE2 . 16520 1 6 . 1 1 23 23 TYR C C 13 175.928 0.100 . 1 . . . . 23 TYR C . 16520 1 7 . 1 1 23 23 TYR CD1 C 13 133.344 0.100 . 1 . . . . 23 TYR CD1 . 16520 1 8 . 1 1 23 23 TYR CE1 C 13 118.584 0.100 . 1 . . . . 23 TYR CE1 . 16520 1 9 . 1 1 23 23 TYR N N 15 123.035 0.100 . 1 . . . . 23 TYR N . 16520 1 10 . 1 1 26 26 LYS HA H 1 4.411 0.02 . 1 . . . . 26 LYS HA . 16520 1 11 . 1 1 26 26 LYS HB2 H 1 1.832 0.02 . 2 . . . . 26 LYS HB2 . 16520 1 12 . 1 1 26 26 LYS HE2 H 1 3.014 0.02 . 2 . . . . 26 LYS HE2 . 16520 1 13 . 1 1 26 26 LYS CA C 13 56.343 0.100 . 1 . . . . 26 LYS CA . 16520 1 14 . 1 1 26 26 LYS CB C 13 33.404 0.100 . 1 . . . . 26 LYS CB . 16520 1 15 . 1 1 26 26 LYS CE C 13 42.413 0.100 . 1 . . . . 26 LYS CE . 16520 1 16 . 1 1 27 27 LYS H H 1 8.288 0.02 . 1 . . . . 27 LYS H . 16520 1 17 . 1 1 27 27 LYS HA H 1 4.481 0.02 . 1 . . . . 27 LYS HA . 16520 1 18 . 1 1 27 27 LYS HB2 H 1 1.773 0.02 . 2 . . . . 27 LYS HB2 . 16520 1 19 . 1 1 27 27 LYS HE2 H 1 2.969 0.02 . 2 . . . . 27 LYS HE2 . 16520 1 20 . 1 1 27 27 LYS C C 13 176.497 0.100 . 1 . . . . 27 LYS C . 16520 1 21 . 1 1 27 27 LYS CA C 13 56.266 0.100 . 1 . . . . 27 LYS CA . 16520 1 22 . 1 1 27 27 LYS CB C 13 33.614 0.100 . 1 . . . . 27 LYS CB . 16520 1 23 . 1 1 27 27 LYS CE C 13 42.377 0.100 . 1 . . . . 27 LYS CE . 16520 1 24 . 1 1 27 27 LYS N N 15 122.557 0.100 . 1 . . . . 27 LYS N . 16520 1 25 . 1 1 28 28 ILE C C 13 176.247 0.100 . 1 . . . . 28 ILE C . 16520 1 26 . 1 1 29 29 GLY H H 1 8.327 0.02 . 1 . . . . 29 GLY H . 16520 1 27 . 1 1 29 29 GLY HA2 H 1 3.963 0.02 . 2 . . . . 29 GLY HA2 . 16520 1 28 . 1 1 29 29 GLY HA3 H 1 4.107 0.02 . 2 . . . . 29 GLY HA3 . 16520 1 29 . 1 1 29 29 GLY C C 13 177.000 0.100 . 1 . . . . 29 GLY C . 16520 1 30 . 1 1 29 29 GLY CA C 13 45.870 0.100 . 1 . . . . 29 GLY CA . 16520 1 31 . 1 1 29 29 GLY N N 15 111.665 0.100 . 1 . . . . 29 GLY N . 16520 1 32 . 1 1 30 30 LYS H H 1 8.093 0.02 . 1 . . . . 30 LYS H . 16520 1 33 . 1 1 30 30 LYS HA H 1 4.645 0.02 . 1 . . . . 30 LYS HA . 16520 1 34 . 1 1 30 30 LYS HB2 H 1 1.631 0.02 . 2 . . . . 30 LYS HB2 . 16520 1 35 . 1 1 30 30 LYS HD2 H 1 1.627 0.02 . 2 . . . . 30 LYS HD2 . 16520 1 36 . 1 1 30 30 LYS HE2 H 1 2.914 0.02 . 2 . . . . 30 LYS HE2 . 16520 1 37 . 1 1 30 30 LYS HG2 H 1 1.318 0.02 . 2 . . . . 30 LYS HG2 . 16520 1 38 . 1 1 30 30 LYS C C 13 174.243 0.100 . 1 . . . . 30 LYS C . 16520 1 39 . 1 1 30 30 LYS CA C 13 55.161 0.100 . 1 . . . . 30 LYS CA . 16520 1 40 . 1 1 30 30 LYS CB C 13 36.391 0.100 . 1 . . . . 30 LYS CB . 16520 1 41 . 1 1 30 30 LYS CD C 13 29.890 0.100 . 1 . . . . 30 LYS CD . 16520 1 42 . 1 1 30 30 LYS CE C 13 42.406 0.100 . 1 . . . . 30 LYS CE . 16520 1 43 . 1 1 30 30 LYS CG C 13 24.476 0.100 . 1 . . . . 30 LYS CG . 16520 1 44 . 1 1 30 30 LYS N N 15 119.441 0.100 . 1 . . . . 30 LYS N . 16520 1 45 . 1 1 31 31 ARG H H 1 8.455 0.02 . 1 . . . . 31 ARG H . 16520 1 46 . 1 1 31 31 ARG HA H 1 5.474 0.02 . 1 . . . . 31 ARG HA . 16520 1 47 . 1 1 31 31 ARG HB2 H 1 1.737 0.02 . 2 . . . . 31 ARG HB2 . 16520 1 48 . 1 1 31 31 ARG HB3 H 1 1.801 0.02 . 2 . . . . 31 ARG HB3 . 16520 1 49 . 1 1 31 31 ARG HD2 H 1 3.255 0.02 . 2 . . . . 31 ARG HD2 . 16520 1 50 . 1 1 31 31 ARG HD3 H 1 3.174 0.02 . 2 . . . . 31 ARG HD3 . 16520 1 51 . 1 1 31 31 ARG HG2 H 1 1.865 0.02 . 2 . . . . 31 ARG HG2 . 16520 1 52 . 1 1 31 31 ARG HG3 H 1 1.558 0.02 . 2 . . . . 31 ARG HG3 . 16520 1 53 . 1 1 31 31 ARG C C 13 176.213 0.100 . 1 . . . . 31 ARG C . 16520 1 54 . 1 1 31 31 ARG CA C 13 55.110 0.100 . 1 . . . . 31 ARG CA . 16520 1 55 . 1 1 31 31 ARG CB C 13 32.560 0.100 . 1 . . . . 31 ARG CB . 16520 1 56 . 1 1 31 31 ARG CD C 13 44.159 0.100 . 1 . . . . 31 ARG CD . 16520 1 57 . 1 1 31 31 ARG CG C 13 28.595 0.100 . 1 . . . . 31 ARG CG . 16520 1 58 . 1 1 31 31 ARG N N 15 121.423 0.100 . 1 . . . . 31 ARG N . 16520 1 59 . 1 1 32 32 LEU H H 1 8.985 0.02 . 1 . . . . 32 LEU H . 16520 1 60 . 1 1 32 32 LEU HA H 1 4.715 0.02 . 1 . . . . 32 LEU HA . 16520 1 61 . 1 1 32 32 LEU HB2 H 1 1.412 0.02 . 2 . . . . 32 LEU HB2 . 16520 1 62 . 1 1 32 32 LEU HD11 H 1 0.807 0.02 . 2 . . . . 32 LEU QD1 . 16520 1 63 . 1 1 32 32 LEU HD12 H 1 0.807 0.02 . 2 . . . . 32 LEU QD1 . 16520 1 64 . 1 1 32 32 LEU HD13 H 1 0.807 0.02 . 2 . . . . 32 LEU QD1 . 16520 1 65 . 1 1 32 32 LEU HD21 H 1 0.717 0.02 . 2 . . . . 32 LEU QD2 . 16520 1 66 . 1 1 32 32 LEU HD22 H 1 0.717 0.02 . 2 . . . . 32 LEU QD2 . 16520 1 67 . 1 1 32 32 LEU HD23 H 1 0.717 0.02 . 2 . . . . 32 LEU QD2 . 16520 1 68 . 1 1 32 32 LEU HG H 1 1.413 0.02 . 1 . . . . 32 LEU HG . 16520 1 69 . 1 1 32 32 LEU C C 13 174.277 0.100 . 1 . . . . 32 LEU C . 16520 1 70 . 1 1 32 32 LEU CA C 13 54.857 0.100 . 1 . . . . 32 LEU CA . 16520 1 71 . 1 1 32 32 LEU CB C 13 45.541 0.100 . 1 . . . . 32 LEU CB . 16520 1 72 . 1 1 32 32 LEU CD1 C 13 25.471 0.100 . 1 . . . . 32 LEU CD1 . 16520 1 73 . 1 1 32 32 LEU CD2 C 13 25.367 0.100 . 1 . . . . 32 LEU CD2 . 16520 1 74 . 1 1 32 32 LEU CG C 13 25.367 0.100 . 1 . . . . 32 LEU CG . 16520 1 75 . 1 1 32 32 LEU N N 15 122.945 0.100 . 1 . . . . 32 LEU N . 16520 1 76 . 1 1 33 33 ASN H H 1 8.602 0.02 . 1 . . . . 33 ASN H . 16520 1 77 . 1 1 33 33 ASN HA H 1 5.454 0.02 . 1 . . . . 33 ASN HA . 16520 1 78 . 1 1 33 33 ASN HB2 H 1 2.586 0.02 . 2 . . . . 33 ASN HB2 . 16520 1 79 . 1 1 33 33 ASN HB3 H 1 2.730 0.02 . 2 . . . . 33 ASN HB3 . 16520 1 80 . 1 1 33 33 ASN HD21 H 1 7.322 0.02 . 2 . . . . 33 ASN HD21 . 16520 1 81 . 1 1 33 33 ASN HD22 H 1 6.758 0.02 . 2 . . . . 33 ASN HD22 . 16520 1 82 . 1 1 33 33 ASN C C 13 174.327 0.100 . 1 . . . . 33 ASN C . 16520 1 83 . 1 1 33 33 ASN CA C 13 52.725 0.100 . 1 . . . . 33 ASN CA . 16520 1 84 . 1 1 33 33 ASN CB C 13 40.455 0.100 . 1 . . . . 33 ASN CB . 16520 1 85 . 1 1 33 33 ASN N N 15 121.310 0.100 . 1 . . . . 33 ASN N . 16520 1 86 . 1 1 33 33 ASN ND2 N 15 111.514 0.100 . 1 . . . . 33 ASN ND2 . 16520 1 87 . 1 1 34 34 ILE H H 1 9.035 0.02 . 1 . . . . 34 ILE H . 16520 1 88 . 1 1 34 34 ILE HA H 1 4.017 0.02 . 1 . . . . 34 ILE HA . 16520 1 89 . 1 1 34 34 ILE HB H 1 1.503 0.02 . 1 . . . . 34 ILE HB . 16520 1 90 . 1 1 34 34 ILE HD11 H 1 0.613 0.02 . 1 . . . . 34 ILE QD1 . 16520 1 91 . 1 1 34 34 ILE HD12 H 1 0.613 0.02 . 1 . . . . 34 ILE QD1 . 16520 1 92 . 1 1 34 34 ILE HD13 H 1 0.613 0.02 . 1 . . . . 34 ILE QD1 . 16520 1 93 . 1 1 34 34 ILE HG12 H 1 0.754 0.02 . 2 . . . . 34 ILE HG12 . 16520 1 94 . 1 1 34 34 ILE HG13 H 1 1.380 0.02 . 2 . . . . 34 ILE HG13 . 16520 1 95 . 1 1 34 34 ILE HG21 H 1 0.783 0.02 . 1 . . . . 34 ILE QG2 . 16520 1 96 . 1 1 34 34 ILE HG22 H 1 0.783 0.02 . 1 . . . . 34 ILE QG2 . 16520 1 97 . 1 1 34 34 ILE HG23 H 1 0.783 0.02 . 1 . . . . 34 ILE QG2 . 16520 1 98 . 1 1 34 34 ILE C C 13 173.502 0.100 . 1 . . . . 34 ILE C . 16520 1 99 . 1 1 34 34 ILE CA C 13 61.253 0.100 . 1 . . . . 34 ILE CA . 16520 1 100 . 1 1 34 34 ILE CB C 13 42.721 0.100 . 1 . . . . 34 ILE CB . 16520 1 101 . 1 1 34 34 ILE CD1 C 13 14.556 0.100 . 1 . . . . 34 ILE CD1 . 16520 1 102 . 1 1 34 34 ILE CG1 C 13 28.293 0.100 . 1 . . . . 34 ILE CG1 . 16520 1 103 . 1 1 34 34 ILE CG2 C 13 17.149 0.100 . 1 . . . . 34 ILE CG2 . 16520 1 104 . 1 1 34 34 ILE N N 15 126.120 0.100 . 1 . . . . 34 ILE N . 16520 1 105 . 1 1 35 35 GLN H H 1 7.631 0.02 . 1 . . . . 35 GLN H . 16520 1 106 . 1 1 35 35 GLN HA H 1 5.377 0.02 . 1 . . . . 35 GLN HA . 16520 1 107 . 1 1 35 35 GLN HB2 H 1 2.059 0.02 . 2 . . . . 35 GLN HB2 . 16520 1 108 . 1 1 35 35 GLN HB3 H 1 1.851 0.02 . 2 . . . . 35 GLN HB3 . 16520 1 109 . 1 1 35 35 GLN HE21 H 1 7.436 0.02 . 2 . . . . 35 GLN HE21 . 16520 1 110 . 1 1 35 35 GLN HE22 H 1 6.853 0.02 . 2 . . . . 35 GLN HE22 . 16520 1 111 . 1 1 35 35 GLN HG2 H 1 2.277 0.02 . 2 . . . . 35 GLN HG2 . 16520 1 112 . 1 1 35 35 GLN C C 13 174.580 0.100 . 1 . . . . 35 GLN C . 16520 1 113 . 1 1 35 35 GLN CA C 13 54.873 0.100 . 1 . . . . 35 GLN CA . 16520 1 114 . 1 1 35 35 GLN CB C 13 30.420 0.100 . 1 . . . . 35 GLN CB . 16520 1 115 . 1 1 35 35 GLN CG C 13 34.305 0.100 . 1 . . . . 35 GLN CG . 16520 1 116 . 1 1 35 35 GLN N N 15 126.269 0.100 . 1 . . . . 35 GLN N . 16520 1 117 . 1 1 35 35 GLN NE2 N 15 111.966 0.100 . 1 . . . . 35 GLN NE2 . 16520 1 118 . 1 1 36 36 LEU H H 1 8.819 0.02 . 1 . . . . 36 LEU H . 16520 1 119 . 1 1 36 36 LEU HA H 1 4.833 0.02 . 1 . . . . 36 LEU HA . 16520 1 120 . 1 1 36 36 LEU HB2 H 1 1.693 0.02 . 2 . . . . 36 LEU HB2 . 16520 1 121 . 1 1 36 36 LEU HB3 H 1 1.269 0.02 . 2 . . . . 36 LEU HB3 . 16520 1 122 . 1 1 36 36 LEU HD11 H 1 0.913 0.02 . 2 . . . . 36 LEU QD1 . 16520 1 123 . 1 1 36 36 LEU HD12 H 1 0.913 0.02 . 2 . . . . 36 LEU QD1 . 16520 1 124 . 1 1 36 36 LEU HD13 H 1 0.913 0.02 . 2 . . . . 36 LEU QD1 . 16520 1 125 . 1 1 36 36 LEU HD21 H 1 0.929 0.02 . 2 . . . . 36 LEU QD2 . 16520 1 126 . 1 1 36 36 LEU HD22 H 1 0.929 0.02 . 2 . . . . 36 LEU QD2 . 16520 1 127 . 1 1 36 36 LEU HD23 H 1 0.929 0.02 . 2 . . . . 36 LEU QD2 . 16520 1 128 . 1 1 36 36 LEU HG H 1 1.550 0.02 . 1 . . . . 36 LEU HG . 16520 1 129 . 1 1 36 36 LEU C C 13 174.883 0.100 . 1 . . . . 36 LEU C . 16520 1 130 . 1 1 36 36 LEU CA C 13 52.812 0.100 . 1 . . . . 36 LEU CA . 16520 1 131 . 1 1 36 36 LEU CB C 13 45.958 0.100 . 1 . . . . 36 LEU CB . 16520 1 132 . 1 1 36 36 LEU CD1 C 13 23.425 0.100 . 1 . . . . 36 LEU CD1 . 16520 1 133 . 1 1 36 36 LEU CD2 C 13 23.425 0.100 . 1 . . . . 36 LEU CD2 . 16520 1 134 . 1 1 36 36 LEU CG C 13 27.277 0.100 . 1 . . . . 36 LEU CG . 16520 1 135 . 1 1 36 36 LEU N N 15 121.902 0.100 . 1 . . . . 36 LEU N . 16520 1 136 . 1 1 37 37 LYS H H 1 8.852 0.02 . 1 . . . . 37 LYS H . 16520 1 137 . 1 1 37 37 LYS HA H 1 4.762 0.02 . 1 . . . . 37 LYS HA . 16520 1 138 . 1 1 37 37 LYS HB2 H 1 1.762 0.02 . 2 . . . . 37 LYS HB2 . 16520 1 139 . 1 1 37 37 LYS HB3 H 1 1.647 0.02 . 2 . . . . 37 LYS HB3 . 16520 1 140 . 1 1 37 37 LYS HE2 H 1 2.960 0.02 . 2 . . . . 37 LYS HE2 . 16520 1 141 . 1 1 37 37 LYS HG2 H 1 1.152 0.02 . 2 . . . . 37 LYS HG2 . 16520 1 142 . 1 1 37 37 LYS HG3 H 1 1.274 0.02 . 2 . . . . 37 LYS HG3 . 16520 1 143 . 1 1 37 37 LYS C C 13 175.809 0.100 . 1 . . . . 37 LYS C . 16520 1 144 . 1 1 37 37 LYS CA C 13 55.187 0.100 . 1 . . . . 37 LYS CA . 16520 1 145 . 1 1 37 37 LYS CB C 13 33.291 0.100 . 1 . . . . 37 LYS CB . 16520 1 146 . 1 1 37 37 LYS CE C 13 42.180 0.100 . 1 . . . . 37 LYS CE . 16520 1 147 . 1 1 37 37 LYS CG C 13 24.906 0.100 . 1 . . . . 37 LYS CG . 16520 1 148 . 1 1 37 37 LYS N N 15 123.617 0.100 . 1 . . . . 37 LYS N . 16520 1 149 . 1 1 38 38 LYS H H 1 8.678 0.02 . 1 . . . . 38 LYS H . 16520 1 150 . 1 1 38 38 LYS HA H 1 3.893 0.02 . 1 . . . . 38 LYS HA . 16520 1 151 . 1 1 38 38 LYS HB2 H 1 1.410 0.02 . 2 . . . . 38 LYS HB2 . 16520 1 152 . 1 1 38 38 LYS HB3 H 1 2.148 0.02 . 2 . . . . 38 LYS HB3 . 16520 1 153 . 1 1 38 38 LYS HD3 H 1 1.559 0.02 . 2 . . . . 38 LYS HD3 . 16520 1 154 . 1 1 38 38 LYS HE2 H 1 2.956 0.02 . 2 . . . . 38 LYS HE2 . 16520 1 155 . 1 1 38 38 LYS HG3 H 1 1.160 0.02 . 2 . . . . 38 LYS HG3 . 16520 1 156 . 1 1 38 38 LYS C C 13 175.102 0.100 . 1 . . . . 38 LYS C . 16520 1 157 . 1 1 38 38 LYS CA C 13 57.611 0.100 . 1 . . . . 38 LYS CA . 16520 1 158 . 1 1 38 38 LYS CB C 13 33.386 0.100 . 1 . . . . 38 LYS CB . 16520 1 159 . 1 1 38 38 LYS CD C 13 30.100 0.100 . 1 . . . . 38 LYS CD . 16520 1 160 . 1 1 38 38 LYS CE C 13 42.648 0.100 . 1 . . . . 38 LYS CE . 16520 1 161 . 1 1 38 38 LYS CG C 13 26.374 0.100 . 1 . . . . 38 LYS CG . 16520 1 162 . 1 1 38 38 LYS N N 15 126.906 0.100 . 1 . . . . 38 LYS N . 16520 1 163 . 1 1 39 39 GLY H H 1 7.910 0.02 . 1 . . . . 39 GLY H . 16520 1 164 . 1 1 39 39 GLY HA2 H 1 3.966 0.02 . 2 . . . . 39 GLY HA2 . 16520 1 165 . 1 1 39 39 GLY HA3 H 1 4.671 0.02 . 2 . . . . 39 GLY HA3 . 16520 1 166 . 1 1 39 39 GLY C C 13 175.224 0.100 . 1 . . . . 39 GLY C . 16520 1 167 . 1 1 39 39 GLY CA C 13 44.663 0.100 . 1 . . . . 39 GLY CA . 16520 1 168 . 1 1 39 39 GLY N N 15 115.764 0.100 . 1 . . . . 39 GLY N . 16520 1 169 . 1 1 40 40 THR HA H 1 4.049 0.02 . 1 . . . . 40 THR HA . 16520 1 170 . 1 1 40 40 THR HB H 1 4.318 0.02 . 1 . . . . 40 THR HB . 16520 1 171 . 1 1 40 40 THR HG21 H 1 1.341 0.02 . 1 . . . . 40 THR QG2 . 16520 1 172 . 1 1 40 40 THR HG22 H 1 1.341 0.02 . 1 . . . . 40 THR QG2 . 16520 1 173 . 1 1 40 40 THR HG23 H 1 1.341 0.02 . 1 . . . . 40 THR QG2 . 16520 1 174 . 1 1 40 40 THR C C 13 176.331 0.100 . 1 . . . . 40 THR C . 16520 1 175 . 1 1 40 40 THR CA C 13 64.923 0.100 . 1 . . . . 40 THR CA . 16520 1 176 . 1 1 40 40 THR CB C 13 69.046 0.100 . 1 . . . . 40 THR CB . 16520 1 177 . 1 1 40 40 THR CG2 C 13 22.131 0.100 . 1 . . . . 40 THR CG2 . 16520 1 178 . 1 1 41 41 GLU H H 1 8.417 0.02 . 1 . . . . 41 GLU H . 16520 1 179 . 1 1 41 41 GLU HA H 1 4.442 0.02 . 1 . . . . 41 GLU HA . 16520 1 180 . 1 1 41 41 GLU HB2 H 1 1.875 0.02 . 2 . . . . 41 GLU HB2 . 16520 1 181 . 1 1 41 41 GLU HB3 H 1 2.148 0.02 . 2 . . . . 41 GLU HB3 . 16520 1 182 . 1 1 41 41 GLU HG2 H 1 2.242 0.02 . 2 . . . . 41 GLU HG2 . 16520 1 183 . 1 1 41 41 GLU HG3 H 1 2.296 0.02 . 2 . . . . 41 GLU HG3 . 16520 1 184 . 1 1 41 41 GLU C C 13 176.381 0.100 . 1 . . . . 41 GLU C . 16520 1 185 . 1 1 41 41 GLU CA C 13 56.714 0.100 . 1 . . . . 41 GLU CA . 16520 1 186 . 1 1 41 41 GLU CB C 13 30.242 0.100 . 1 . . . . 41 GLU CB . 16520 1 187 . 1 1 41 41 GLU CG C 13 36.895 0.100 . 1 . . . . 41 GLU CG . 16520 1 188 . 1 1 41 41 GLU N N 15 118.317 0.100 . 1 . . . . 41 GLU N . 16520 1 189 . 1 1 42 42 GLY H H 1 7.838 0.02 . 1 . . . . 42 GLY H . 16520 1 190 . 1 1 42 42 GLY HA2 H 1 3.813 0.02 . 2 . . . . 42 GLY HA2 . 16520 1 191 . 1 1 42 42 GLY HA3 H 1 4.540 0.02 . 2 . . . . 42 GLY HA3 . 16520 1 192 . 1 1 42 42 GLY C C 13 176.447 0.100 . 1 . . . . 42 GLY C . 16520 1 193 . 1 1 42 42 GLY CA C 13 44.663 0.100 . 1 . . . . 42 GLY CA . 16520 1 194 . 1 1 42 42 GLY N N 15 105.484 0.100 . 1 . . . . 42 GLY N . 16520 1 195 . 1 1 43 43 LEU HA H 1 4.276 0.02 . 1 . . . . 43 LEU HA . 16520 1 196 . 1 1 43 43 LEU HB2 H 1 1.869 0.02 . 2 . . . . 43 LEU HB2 . 16520 1 197 . 1 1 43 43 LEU HB3 H 1 1.596 0.02 . 2 . . . . 43 LEU HB3 . 16520 1 198 . 1 1 43 43 LEU HD11 H 1 0.867 0.02 . 2 . . . . 43 LEU QD1 . 16520 1 199 . 1 1 43 43 LEU HD12 H 1 0.867 0.02 . 2 . . . . 43 LEU QD1 . 16520 1 200 . 1 1 43 43 LEU HD13 H 1 0.867 0.02 . 2 . . . . 43 LEU QD1 . 16520 1 201 . 1 1 43 43 LEU HD21 H 1 1.005 0.02 . 2 . . . . 43 LEU QD2 . 16520 1 202 . 1 1 43 43 LEU HD22 H 1 1.005 0.02 . 2 . . . . 43 LEU QD2 . 16520 1 203 . 1 1 43 43 LEU HD23 H 1 1.005 0.02 . 2 . . . . 43 LEU QD2 . 16520 1 204 . 1 1 43 43 LEU C C 13 179.227 0.100 . 1 . . . . 43 LEU C . 16520 1 205 . 1 1 43 43 LEU CA C 13 57.666 0.100 . 1 . . . . 43 LEU CA . 16520 1 206 . 1 1 43 43 LEU CB C 13 42.413 0.100 . 1 . . . . 43 LEU CB . 16520 1 207 . 1 1 43 43 LEU CD1 C 13 23.100 0.100 . 1 . . . . 43 LEU CD1 . 16520 1 208 . 1 1 43 43 LEU CD2 C 13 26.860 0.100 . 1 . . . . 43 LEU CD2 . 16520 1 209 . 1 1 44 44 GLY H H 1 9.025 0.02 . 1 . . . . 44 GLY H . 16520 1 210 . 1 1 44 44 GLY HA2 H 1 4.088 0.02 . 2 . . . . 44 GLY HA2 . 16520 1 211 . 1 1 44 44 GLY HA3 H 1 4.551 0.02 . 2 . . . . 44 GLY HA3 . 16520 1 212 . 1 1 44 44 GLY C C 13 175.321 0.100 . 1 . . . . 44 GLY C . 16520 1 213 . 1 1 44 44 GLY CA C 13 47.618 0.100 . 1 . . . . 44 GLY CA . 16520 1 214 . 1 1 44 44 GLY N N 15 104.442 0.100 . 1 . . . . 44 GLY N . 16520 1 215 . 1 1 45 45 PHE H H 1 7.555 0.02 . 1 . . . . 45 PHE H . 16520 1 216 . 1 1 45 45 PHE HA H 1 5.478 0.02 . 1 . . . . 45 PHE HA . 16520 1 217 . 1 1 45 45 PHE HB2 H 1 3.297 0.02 . 2 . . . . 45 PHE HB2 . 16520 1 218 . 1 1 45 45 PHE HB3 H 1 2.996 0.02 . 2 . . . . 45 PHE HB3 . 16520 1 219 . 1 1 45 45 PHE HD1 H 1 6.943 0.02 . 1 . . . . 45 PHE HD1 . 16520 1 220 . 1 1 45 45 PHE HD2 H 1 6.943 0.02 . 1 . . . . 45 PHE HD2 . 16520 1 221 . 1 1 45 45 PHE HE1 H 1 6.946 0.02 . 1 . . . . 45 PHE HE1 . 16520 1 222 . 1 1 45 45 PHE HE2 H 1 6.946 0.02 . 1 . . . . 45 PHE HE2 . 16520 1 223 . 1 1 45 45 PHE HZ H 1 6.971 0.02 . 1 . . . . 45 PHE HZ . 16520 1 224 . 1 1 45 45 PHE C C 13 171.701 0.100 . 1 . . . . 45 PHE C . 16520 1 225 . 1 1 45 45 PHE CA C 13 56.640 0.100 . 1 . . . . 45 PHE CA . 16520 1 226 . 1 1 45 45 PHE CB C 13 41.426 0.100 . 1 . . . . 45 PHE CB . 16520 1 227 . 1 1 45 45 PHE CD1 C 13 132.826 0.100 . 1 . . . . 45 PHE CD1 . 16520 1 228 . 1 1 45 45 PHE CE1 C 13 130.496 0.100 . 1 . . . . 45 PHE CE1 . 16520 1 229 . 1 1 45 45 PHE CZ C 13 128.942 0.100 . 1 . . . . 45 PHE CZ . 16520 1 230 . 1 1 45 45 PHE N N 15 114.997 0.100 . 1 . . . . 45 PHE N . 16520 1 231 . 1 1 46 46 SER H H 1 8.877 0.02 . 1 . . . . 46 SER H . 16520 1 232 . 1 1 46 46 SER HA H 1 5.067 0.02 . 1 . . . . 46 SER HA . 16520 1 233 . 1 1 46 46 SER HB2 H 1 3.947 0.02 . 2 . . . . 46 SER HB2 . 16520 1 234 . 1 1 46 46 SER HB3 H 1 4.149 0.02 . 2 . . . . 46 SER HB3 . 16520 1 235 . 1 1 46 46 SER C C 13 175.051 0.100 . 1 . . . . 46 SER C . 16520 1 236 . 1 1 46 46 SER CA C 13 55.457 0.100 . 1 . . . . 46 SER CA . 16520 1 237 . 1 1 46 46 SER CB C 13 66.845 0.100 . 1 . . . . 46 SER CB . 16520 1 238 . 1 1 46 46 SER N N 15 116.418 0.100 . 1 . . . . 46 SER N . 16520 1 239 . 1 1 47 47 ILE H H 1 8.793 0.02 . 1 . . . . 47 ILE H . 16520 1 240 . 1 1 47 47 ILE HA H 1 5.674 0.02 . 1 . . . . 47 ILE HA . 16520 1 241 . 1 1 47 47 ILE HB H 1 2.057 0.02 . 1 . . . . 47 ILE HB . 16520 1 242 . 1 1 47 47 ILE HD11 H 1 0.875 0.02 . 1 . . . . 47 ILE QD1 . 16520 1 243 . 1 1 47 47 ILE HD12 H 1 0.875 0.02 . 1 . . . . 47 ILE QD1 . 16520 1 244 . 1 1 47 47 ILE HD13 H 1 0.875 0.02 . 1 . . . . 47 ILE QD1 . 16520 1 245 . 1 1 47 47 ILE HG12 H 1 1.429 0.02 . 2 . . . . 47 ILE HG12 . 16520 1 246 . 1 1 47 47 ILE HG13 H 1 1.095 0.02 . 2 . . . . 47 ILE HG13 . 16520 1 247 . 1 1 47 47 ILE HG21 H 1 0.972 0.02 . 1 . . . . 47 ILE QG2 . 16520 1 248 . 1 1 47 47 ILE HG22 H 1 0.972 0.02 . 1 . . . . 47 ILE QG2 . 16520 1 249 . 1 1 47 47 ILE HG23 H 1 0.972 0.02 . 1 . . . . 47 ILE QG2 . 16520 1 250 . 1 1 47 47 ILE C C 13 174.748 0.100 . 1 . . . . 47 ILE C . 16520 1 251 . 1 1 47 47 ILE CA C 13 59.661 0.100 . 1 . . . . 47 ILE CA . 16520 1 252 . 1 1 47 47 ILE CB C 13 42.515 0.100 . 1 . . . . 47 ILE CB . 16520 1 253 . 1 1 47 47 ILE CD1 C 13 14.971 0.100 . 1 . . . . 47 ILE CD1 . 16520 1 254 . 1 1 47 47 ILE CG1 C 13 25.132 0.100 . 1 . . . . 47 ILE CG1 . 16520 1 255 . 1 1 47 47 ILE CG2 C 13 19.091 0.100 . 1 . . . . 47 ILE CG2 . 16520 1 256 . 1 1 47 47 ILE N N 15 114.639 0.100 . 1 . . . . 47 ILE N . 16520 1 257 . 1 1 48 48 THR H H 1 9.098 0.02 . 1 . . . . 48 THR H . 16520 1 258 . 1 1 48 48 THR HA H 1 4.790 0.02 . 1 . . . . 48 THR HA . 16520 1 259 . 1 1 48 48 THR HB H 1 4.217 0.02 . 1 . . . . 48 THR HB . 16520 1 260 . 1 1 48 48 THR HG21 H 1 1.129 0.02 . 1 . . . . 48 THR QG2 . 16520 1 261 . 1 1 48 48 THR HG22 H 1 1.129 0.02 . 1 . . . . 48 THR QG2 . 16520 1 262 . 1 1 48 48 THR HG23 H 1 1.129 0.02 . 1 . . . . 48 THR QG2 . 16520 1 263 . 1 1 48 48 THR C C 13 171.532 0.100 . 1 . . . . 48 THR C . 16520 1 264 . 1 1 48 48 THR CA C 13 60.742 0.100 . 1 . . . . 48 THR CA . 16520 1 265 . 1 1 48 48 THR CB C 13 70.236 0.100 . 1 . . . . 48 THR CB . 16520 1 266 . 1 1 48 48 THR CG2 C 13 19.543 0.100 . 1 . . . . 48 THR CG2 . 16520 1 267 . 1 1 48 48 THR N N 15 113.927 0.100 . 1 . . . . 48 THR N . 16520 1 268 . 1 1 49 49 SER H H 1 8.174 0.02 . 1 . . . . 49 SER H . 16520 1 269 . 1 1 49 49 SER HA H 1 5.324 0.02 . 1 . . . . 49 SER HA . 16520 1 270 . 1 1 49 49 SER HB2 H 1 3.924 0.02 . 2 . . . . 49 SER HB2 . 16520 1 271 . 1 1 49 49 SER HB3 H 1 3.843 0.02 . 2 . . . . 49 SER HB3 . 16520 1 272 . 1 1 49 49 SER C C 13 174.508 0.100 . 1 . . . . 49 SER C . 16520 1 273 . 1 1 49 49 SER CA C 13 57.338 0.100 . 1 . . . . 49 SER CA . 16520 1 274 . 1 1 49 49 SER CB C 13 65.704 0.100 . 1 . . . . 49 SER CB . 16520 1 275 . 1 1 49 49 SER N N 15 116.872 0.100 . 1 . . . . 49 SER N . 16520 1 276 . 1 1 50 50 ARG H H 1 8.639 0.02 . 1 . . . . 50 ARG H . 16520 1 277 . 1 1 50 50 ARG HA H 1 4.521 0.02 . 1 . . . . 50 ARG HA . 16520 1 278 . 1 1 50 50 ARG HB2 H 1 1.949 0.02 . 2 . . . . 50 ARG HB2 . 16520 1 279 . 1 1 50 50 ARG HB3 H 1 1.773 0.02 . 2 . . . . 50 ARG HB3 . 16520 1 280 . 1 1 50 50 ARG HD2 H 1 3.107 0.02 . 2 . . . . 50 ARG HD2 . 16520 1 281 . 1 1 50 50 ARG HD3 H 1 2.993 0.02 . 2 . . . . 50 ARG HD3 . 16520 1 282 . 1 1 50 50 ARG HG2 H 1 1.622 0.02 . 2 . . . . 50 ARG HG2 . 16520 1 283 . 1 1 50 50 ARG C C 13 175.087 0.100 . 1 . . . . 50 ARG C . 16520 1 284 . 1 1 50 50 ARG CA C 13 55.993 0.100 . 1 . . . . 50 ARG CA . 16520 1 285 . 1 1 50 50 ARG CB C 13 32.439 0.100 . 1 . . . . 50 ARG CB . 16520 1 286 . 1 1 50 50 ARG CD C 13 43.722 0.100 . 1 . . . . 50 ARG CD . 16520 1 287 . 1 1 50 50 ARG CG C 13 27.507 0.100 . 1 . . . . 50 ARG CG . 16520 1 288 . 1 1 50 50 ARG N N 15 121.902 0.100 . 1 . . . . 50 ARG N . 16520 1 289 . 1 1 51 51 ASP H H 1 8.406 0.02 . 1 . . . . 51 ASP H . 16520 1 290 . 1 1 51 51 ASP HA H 1 4.669 0.02 . 1 . . . . 51 ASP HA . 16520 1 291 . 1 1 51 51 ASP HB2 H 1 2.686 0.02 . 2 . . . . 51 ASP HB2 . 16520 1 292 . 1 1 51 51 ASP HB3 H 1 2.814 0.02 . 2 . . . . 51 ASP HB3 . 16520 1 293 . 1 1 51 51 ASP C C 13 176.078 0.100 . 1 . . . . 51 ASP C . 16520 1 294 . 1 1 51 51 ASP CA C 13 54.823 0.100 . 1 . . . . 51 ASP CA . 16520 1 295 . 1 1 51 51 ASP CB C 13 41.596 0.100 . 1 . . . . 51 ASP CB . 16520 1 296 . 1 1 51 51 ASP N N 15 120.982 0.100 . 1 . . . . 51 ASP N . 16520 1 297 . 1 1 52 52 VAL H H 1 8.165 0.02 . 1 . . . . 52 VAL H . 16520 1 298 . 1 1 52 52 VAL HA H 1 4.285 0.02 . 1 . . . . 52 VAL HA . 16520 1 299 . 1 1 52 52 VAL HB H 1 2.203 0.02 . 1 . . . . 52 VAL HB . 16520 1 300 . 1 1 52 52 VAL HG21 H 1 0.992 0.02 . 2 . . . . 52 VAL QG2 . 16520 1 301 . 1 1 52 52 VAL HG22 H 1 0.992 0.02 . 2 . . . . 52 VAL QG2 . 16520 1 302 . 1 1 52 52 VAL HG23 H 1 0.992 0.02 . 2 . . . . 52 VAL QG2 . 16520 1 303 . 1 1 52 52 VAL C C 13 176.381 0.100 . 1 . . . . 52 VAL C . 16520 1 304 . 1 1 52 52 VAL CA C 13 62.467 0.100 . 1 . . . . 52 VAL CA . 16520 1 305 . 1 1 52 52 VAL CB C 13 33.347 0.100 . 1 . . . . 52 VAL CB . 16520 1 306 . 1 1 52 52 VAL CG2 C 13 20.386 0.100 . 1 . . . . 52 VAL CG2 . 16520 1 307 . 1 1 52 52 VAL N N 15 119.031 0.100 . 1 . . . . 52 VAL N . 16520 1 308 . 1 1 53 53 THR H H 1 8.309 0.02 . 1 . . . . 53 THR H . 16520 1 309 . 1 1 53 53 THR HA H 1 4.437 0.02 . 1 . . . . 53 THR HA . 16520 1 310 . 1 1 53 53 THR HB H 1 4.231 0.02 . 1 . . . . 53 THR HB . 16520 1 311 . 1 1 53 53 THR HG21 H 1 1.241 0.02 . 1 . . . . 53 THR QG2 . 16520 1 312 . 1 1 53 53 THR HG22 H 1 1.241 0.02 . 1 . . . . 53 THR QG2 . 16520 1 313 . 1 1 53 53 THR HG23 H 1 1.241 0.02 . 1 . . . . 53 THR QG2 . 16520 1 314 . 1 1 53 53 THR C C 13 175.455 0.100 . 1 . . . . 53 THR C . 16520 1 315 . 1 1 53 53 THR CA C 13 62.221 0.100 . 1 . . . . 53 THR CA . 16520 1 316 . 1 1 53 53 THR CB C 13 70.236 0.100 . 1 . . . . 53 THR CB . 16520 1 317 . 1 1 53 53 THR CG2 C 13 21.632 0.100 . 1 . . . . 53 THR CG2 . 16520 1 318 . 1 1 53 53 THR N N 15 116.085 0.100 . 1 . . . . 53 THR N . 16520 1 319 . 1 1 54 54 ILE H H 1 8.310 0.02 . 1 . . . . 54 ILE H . 16520 1 320 . 1 1 54 54 ILE HD11 H 1 0.900 0.02 . 1 . . . . 54 ILE QD1 . 16520 1 321 . 1 1 54 54 ILE HD12 H 1 0.900 0.02 . 1 . . . . 54 ILE QD1 . 16520 1 322 . 1 1 54 54 ILE HD13 H 1 0.900 0.02 . 1 . . . . 54 ILE QD1 . 16520 1 323 . 1 1 54 54 ILE C C 13 175.006 0.100 . 1 . . . . 54 ILE C . 16520 1 324 . 1 1 54 54 ILE CD1 C 13 13.072 0.100 . 1 . . . . 54 ILE CD1 . 16520 1 325 . 1 1 54 54 ILE N N 15 122.010 0.100 . 1 . . . . 54 ILE N . 16520 1 326 . 1 1 55 55 GLY HA2 H 1 3.895 0.02 . 2 . . . . 55 GLY HA2 . 16520 1 327 . 1 1 55 55 GLY HA3 H 1 4.118 0.02 . 2 . . . . 55 GLY HA3 . 16520 1 328 . 1 1 55 55 GLY C C 13 174.832 0.100 . 1 . . . . 55 GLY C . 16520 1 329 . 1 1 55 55 GLY CA C 13 45.581 0.100 . 1 . . . . 55 GLY CA . 16520 1 330 . 1 1 56 56 GLY H H 1 8.285 0.02 . 1 . . . . 56 GLY H . 16520 1 331 . 1 1 56 56 GLY HA2 H 1 4.035 0.02 . 2 . . . . 56 GLY HA2 . 16520 1 332 . 1 1 56 56 GLY HA3 H 1 3.759 0.02 . 2 . . . . 56 GLY HA3 . 16520 1 333 . 1 1 56 56 GLY C C 13 173.772 0.100 . 1 . . . . 56 GLY C . 16520 1 334 . 1 1 56 56 GLY CA C 13 45.490 0.100 . 1 . . . . 56 GLY CA . 16520 1 335 . 1 1 56 56 GLY N N 15 108.153 0.100 . 1 . . . . 56 GLY N . 16520 1 336 . 1 1 57 57 SER H H 1 8.159 0.02 . 1 . . . . 57 SER H . 16520 1 337 . 1 1 57 57 SER HA H 1 4.588 0.02 . 1 . . . . 57 SER HA . 16520 1 338 . 1 1 57 57 SER HB2 H 1 3.813 0.02 . 2 . . . . 57 SER HB2 . 16520 1 339 . 1 1 57 57 SER HB3 H 1 3.985 0.02 . 2 . . . . 57 SER HB3 . 16520 1 340 . 1 1 57 57 SER C C 13 173.570 0.100 . 1 . . . . 57 SER C . 16520 1 341 . 1 1 57 57 SER CA C 13 58.019 0.100 . 1 . . . . 57 SER CA . 16520 1 342 . 1 1 57 57 SER CB C 13 64.958 0.100 . 1 . . . . 57 SER CB . 16520 1 343 . 1 1 57 57 SER N N 15 114.722 0.100 . 1 . . . . 57 SER N . 16520 1 344 . 1 1 58 58 ALA H H 1 8.507 0.02 . 1 . . . . 58 ALA H . 16520 1 345 . 1 1 58 58 ALA HA H 1 4.811 0.02 . 1 . . . . 58 ALA HA . 16520 1 346 . 1 1 58 58 ALA HB1 H 1 1.513 0.02 . 1 . . . . 58 ALA QB . 16520 1 347 . 1 1 58 58 ALA HB2 H 1 1.513 0.02 . 1 . . . . 58 ALA QB . 16520 1 348 . 1 1 58 58 ALA HB3 H 1 1.513 0.02 . 1 . . . . 58 ALA QB . 16520 1 349 . 1 1 58 58 ALA C C 13 173.732 0.100 . 1 . . . . 58 ALA C . 16520 1 350 . 1 1 58 58 ALA CA C 13 50.931 0.100 . 1 . . . . 58 ALA CA . 16520 1 351 . 1 1 58 58 ALA CB C 13 19.543 0.100 . 1 . . . . 58 ALA CB . 16520 1 352 . 1 1 58 58 ALA N N 15 127.841 0.100 . 1 . . . . 58 ALA N . 16520 1 353 . 1 1 59 59 PRO HA H 1 4.355 0.02 . 1 . . . . 59 PRO HA . 16520 1 354 . 1 1 59 59 PRO HB2 H 1 1.708 0.02 . 2 . . . . 59 PRO HB2 . 16520 1 355 . 1 1 59 59 PRO HB3 H 1 2.004 0.02 . 2 . . . . 59 PRO HB3 . 16520 1 356 . 1 1 59 59 PRO HD2 H 1 3.424 0.02 . 2 . . . . 59 PRO HD2 . 16520 1 357 . 1 1 59 59 PRO HD3 H 1 3.907 0.02 . 2 . . . . 59 PRO HD3 . 16520 1 358 . 1 1 59 59 PRO CA C 13 62.974 0.100 . 1 . . . . 59 PRO CA . 16520 1 359 . 1 1 59 59 PRO CB C 13 32.485 0.100 . 1 . . . . 59 PRO CB . 16520 1 360 . 1 1 59 59 PRO CD C 13 50.927 0.100 . 1 . . . . 59 PRO CD . 16520 1 361 . 1 1 60 60 ILE H H 1 8.633 0.02 . 1 . . . . 60 ILE H . 16520 1 362 . 1 1 60 60 ILE HA H 1 4.493 0.02 . 1 . . . . 60 ILE HA . 16520 1 363 . 1 1 60 60 ILE HB H 1 1.920 0.02 . 1 . . . . 60 ILE HB . 16520 1 364 . 1 1 60 60 ILE HD11 H 1 0.820 0.02 . 1 . . . . 60 ILE QD1 . 16520 1 365 . 1 1 60 60 ILE HD12 H 1 0.820 0.02 . 1 . . . . 60 ILE QD1 . 16520 1 366 . 1 1 60 60 ILE HD13 H 1 0.820 0.02 . 1 . . . . 60 ILE QD1 . 16520 1 367 . 1 1 60 60 ILE HG12 H 1 1.543 0.02 . 2 . . . . 60 ILE HG12 . 16520 1 368 . 1 1 60 60 ILE HG13 H 1 1.543 0.02 . 2 . . . . 60 ILE HG13 . 16520 1 369 . 1 1 60 60 ILE HG21 H 1 0.968 0.02 . 1 . . . . 60 ILE QG2 . 16520 1 370 . 1 1 60 60 ILE HG22 H 1 0.968 0.02 . 1 . . . . 60 ILE QG2 . 16520 1 371 . 1 1 60 60 ILE HG23 H 1 0.968 0.02 . 1 . . . . 60 ILE QG2 . 16520 1 372 . 1 1 60 60 ILE C C 13 175.405 0.100 . 1 . . . . 60 ILE C . 16520 1 373 . 1 1 60 60 ILE CA C 13 59.230 0.100 . 1 . . . . 60 ILE CA . 16520 1 374 . 1 1 60 60 ILE CB C 13 38.837 0.100 . 1 . . . . 60 ILE CB . 16520 1 375 . 1 1 60 60 ILE CD1 C 13 12.087 0.100 . 1 . . . . 60 ILE CD1 . 16520 1 376 . 1 1 60 60 ILE CG1 C 13 27.485 0.100 . 1 . . . . 60 ILE CG1 . 16520 1 377 . 1 1 60 60 ILE CG2 C 13 19.414 0.100 . 1 . . . . 60 ILE CG2 . 16520 1 378 . 1 1 60 60 ILE N N 15 121.922 0.100 . 1 . . . . 60 ILE N . 16520 1 379 . 1 1 61 61 TYR H H 1 8.861 0.02 . 1 . . . . 61 TYR H . 16520 1 380 . 1 1 61 61 TYR HA H 1 5.486 0.02 . 1 . . . . 61 TYR HA . 16520 1 381 . 1 1 61 61 TYR HB2 H 1 2.511 0.02 . 2 . . . . 61 TYR HB2 . 16520 1 382 . 1 1 61 61 TYR HB3 H 1 2.749 0.02 . 2 . . . . 61 TYR HB3 . 16520 1 383 . 1 1 61 61 TYR HD1 H 1 6.979 0.02 . 1 . . . . 61 TYR HD1 . 16520 1 384 . 1 1 61 61 TYR HD2 H 1 6.979 0.02 . 1 . . . . 61 TYR HD2 . 16520 1 385 . 1 1 61 61 TYR HE1 H 1 6.823 0.02 . 1 . . . . 61 TYR HE1 . 16520 1 386 . 1 1 61 61 TYR HE2 H 1 6.823 0.02 . 1 . . . . 61 TYR HE2 . 16520 1 387 . 1 1 61 61 TYR C C 13 176.263 0.100 . 1 . . . . 61 TYR C . 16520 1 388 . 1 1 61 61 TYR CA C 13 56.080 0.100 . 1 . . . . 61 TYR CA . 16520 1 389 . 1 1 61 61 TYR CB C 13 42.721 0.100 . 1 . . . . 61 TYR CB . 16520 1 390 . 1 1 61 61 TYR CD1 C 13 133.603 0.100 . 1 . . . . 61 TYR CD1 . 16520 1 391 . 1 1 61 61 TYR CE1 C 13 118.066 0.100 . 1 . . . . 61 TYR CE1 . 16520 1 392 . 1 1 61 61 TYR N N 15 123.306 0.100 . 1 . . . . 61 TYR N . 16520 1 393 . 1 1 62 62 VAL H H 1 9.126 0.02 . 1 . . . . 62 VAL H . 16520 1 394 . 1 1 62 62 VAL HA H 1 4.211 0.02 . 1 . . . . 62 VAL HA . 16520 1 395 . 1 1 62 62 VAL HB H 1 2.317 0.02 . 1 . . . . 62 VAL HB . 16520 1 396 . 1 1 62 62 VAL HG21 H 1 0.801 0.02 . 2 . . . . 62 VAL QG2 . 16520 1 397 . 1 1 62 62 VAL HG22 H 1 0.801 0.02 . 2 . . . . 62 VAL QG2 . 16520 1 398 . 1 1 62 62 VAL HG23 H 1 0.801 0.02 . 2 . . . . 62 VAL QG2 . 16520 1 399 . 1 1 62 62 VAL C C 13 176.247 0.100 . 1 . . . . 62 VAL C . 16520 1 400 . 1 1 62 62 VAL CA C 13 63.836 0.100 . 1 . . . . 62 VAL CA . 16520 1 401 . 1 1 62 62 VAL CB C 13 32.162 0.100 . 1 . . . . 62 VAL CB . 16520 1 402 . 1 1 62 62 VAL CG2 C 13 21.858 0.100 . 1 . . . . 62 VAL CG2 . 16520 1 403 . 1 1 62 62 VAL N N 15 120.211 0.100 . 1 . . . . 62 VAL N . 16520 1 404 . 1 1 63 63 LYS H H 1 9.543 0.02 . 1 . . . . 63 LYS H . 16520 1 405 . 1 1 63 63 LYS HA H 1 4.313 0.02 . 1 . . . . 63 LYS HA . 16520 1 406 . 1 1 63 63 LYS HB2 H 1 1.325 0.02 . 2 . . . . 63 LYS HB2 . 16520 1 407 . 1 1 63 63 LYS HB3 H 1 1.955 0.02 . 2 . . . . 63 LYS HB3 . 16520 1 408 . 1 1 63 63 LYS HD2 H 1 1.614 0.02 . 2 . . . . 63 LYS HD2 . 16520 1 409 . 1 1 63 63 LYS HE2 H 1 2.980 0.02 . 2 . . . . 63 LYS HE2 . 16520 1 410 . 1 1 63 63 LYS C C 13 174.310 0.100 . 1 . . . . 63 LYS C . 16520 1 411 . 1 1 63 63 LYS CA C 13 57.611 0.100 . 1 . . . . 63 LYS CA . 16520 1 412 . 1 1 63 63 LYS CB C 13 33.010 0.100 . 1 . . . . 63 LYS CB . 16520 1 413 . 1 1 63 63 LYS CD C 13 29.449 0.100 . 1 . . . . 63 LYS CD . 16520 1 414 . 1 1 63 63 LYS CE C 13 42.293 0.100 . 1 . . . . 63 LYS CE . 16520 1 415 . 1 1 63 63 LYS N N 15 134.556 0.100 . 1 . . . . 63 LYS N . 16520 1 416 . 1 1 64 64 ASN H H 1 7.381 0.02 . 1 . . . . 64 ASN H . 16520 1 417 . 1 1 64 64 ASN HA H 1 4.962 0.02 . 1 . . . . 64 ASN HA . 16520 1 418 . 1 1 64 64 ASN HB2 H 1 2.548 0.02 . 2 . . . . 64 ASN HB2 . 16520 1 419 . 1 1 64 64 ASN HB3 H 1 2.693 0.02 . 2 . . . . 64 ASN HB3 . 16520 1 420 . 1 1 64 64 ASN HD21 H 1 7.583 0.02 . 2 . . . . 64 ASN HD21 . 16520 1 421 . 1 1 64 64 ASN HD22 H 1 6.908 0.02 . 2 . . . . 64 ASN HD22 . 16520 1 422 . 1 1 64 64 ASN C C 13 172.850 0.100 . 1 . . . . 64 ASN C . 16520 1 423 . 1 1 64 64 ASN CA C 13 52.552 0.100 . 1 . . . . 64 ASN CA . 16520 1 424 . 1 1 64 64 ASN CB C 13 42.074 0.100 . 1 . . . . 64 ASN CB . 16520 1 425 . 1 1 64 64 ASN N N 15 111.610 0.100 . 1 . . . . 64 ASN N . 16520 1 426 . 1 1 64 64 ASN ND2 N 15 112.968 0.100 . 1 . . . . 64 ASN ND2 . 16520 1 427 . 1 1 65 65 ILE H H 1 8.606 0.02 . 1 . . . . 65 ILE H . 16520 1 428 . 1 1 65 65 ILE HA H 1 4.418 0.02 . 1 . . . . 65 ILE HA . 16520 1 429 . 1 1 65 65 ILE HB H 1 2.092 0.02 . 1 . . . . 65 ILE HB . 16520 1 430 . 1 1 65 65 ILE HD11 H 1 0.457 0.02 . 1 . . . . 65 ILE QD1 . 16520 1 431 . 1 1 65 65 ILE HD12 H 1 0.457 0.02 . 1 . . . . 65 ILE QD1 . 16520 1 432 . 1 1 65 65 ILE HD13 H 1 0.457 0.02 . 1 . . . . 65 ILE QD1 . 16520 1 433 . 1 1 65 65 ILE HG12 H 1 1.440 0.02 . 2 . . . . 65 ILE HG12 . 16520 1 434 . 1 1 65 65 ILE HG13 H 1 1.440 0.02 . 2 . . . . 65 ILE HG13 . 16520 1 435 . 1 1 65 65 ILE HG21 H 1 0.976 0.02 . 1 . . . . 65 ILE QG2 . 16520 1 436 . 1 1 65 65 ILE HG22 H 1 0.976 0.02 . 1 . . . . 65 ILE QG2 . 16520 1 437 . 1 1 65 65 ILE HG23 H 1 0.976 0.02 . 1 . . . . 65 ILE QG2 . 16520 1 438 . 1 1 65 65 ILE C C 13 176.045 0.100 . 1 . . . . 65 ILE C . 16520 1 439 . 1 1 65 65 ILE CA C 13 58.906 0.100 . 1 . . . . 65 ILE CA . 16520 1 440 . 1 1 65 65 ILE CB C 13 35.923 0.100 . 1 . . . . 65 ILE CB . 16520 1 441 . 1 1 65 65 ILE CD1 C 13 10.677 0.100 . 1 . . . . 65 ILE CD1 . 16520 1 442 . 1 1 65 65 ILE CG1 C 13 26.212 0.100 . 1 . . . . 65 ILE CG1 . 16520 1 443 . 1 1 65 65 ILE CG2 C 13 17.496 0.100 . 1 . . . . 65 ILE CG2 . 16520 1 444 . 1 1 65 65 ILE N N 15 121.792 0.100 . 1 . . . . 65 ILE N . 16520 1 445 . 1 1 66 66 LEU H H 1 8.100 0.02 . 1 . . . . 66 LEU H . 16520 1 446 . 1 1 66 66 LEU HA H 1 4.469 0.02 . 1 . . . . 66 LEU HA . 16520 1 447 . 1 1 66 66 LEU HB2 H 1 1.573 0.02 . 2 . . . . 66 LEU HB2 . 16520 1 448 . 1 1 66 66 LEU HB3 H 1 1.861 0.02 . 2 . . . . 66 LEU HB3 . 16520 1 449 . 1 1 66 66 LEU HD11 H 1 0.904 0.02 . 2 . . . . 66 LEU QD1 . 16520 1 450 . 1 1 66 66 LEU HD12 H 1 0.904 0.02 . 2 . . . . 66 LEU QD1 . 16520 1 451 . 1 1 66 66 LEU HD13 H 1 0.904 0.02 . 2 . . . . 66 LEU QD1 . 16520 1 452 . 1 1 66 66 LEU C C 13 176.162 0.100 . 1 . . . . 66 LEU C . 16520 1 453 . 1 1 66 66 LEU CA C 13 54.168 0.100 . 1 . . . . 66 LEU CA . 16520 1 454 . 1 1 66 66 LEU CB C 13 39.926 0.100 . 1 . . . . 66 LEU CB . 16520 1 455 . 1 1 66 66 LEU CD1 C 13 24.073 0.100 . 1 . . . . 66 LEU CD1 . 16520 1 456 . 1 1 66 66 LEU N N 15 128.831 0.100 . 1 . . . . 66 LEU N . 16520 1 457 . 1 1 67 67 PRO HA H 1 4.377 0.02 . 1 . . . . 67 PRO HA . 16520 1 458 . 1 1 67 67 PRO HB2 H 1 1.996 0.02 . 2 . . . . 67 PRO HB2 . 16520 1 459 . 1 1 67 67 PRO HB3 H 1 2.375 0.02 . 2 . . . . 67 PRO HB3 . 16520 1 460 . 1 1 67 67 PRO HD2 H 1 3.795 0.02 . 2 . . . . 67 PRO HD2 . 16520 1 461 . 1 1 67 67 PRO HD3 H 1 3.795 0.02 . 2 . . . . 67 PRO HD3 . 16520 1 462 . 1 1 67 67 PRO HG2 H 1 2.088 0.02 . 2 . . . . 67 PRO HG2 . 16520 1 463 . 1 1 67 67 PRO HG3 H 1 2.088 0.02 . 2 . . . . 67 PRO HG3 . 16520 1 464 . 1 1 67 67 PRO C C 13 175.910 0.100 . 1 . . . . 67 PRO C . 16520 1 465 . 1 1 67 67 PRO CA C 13 64.409 0.100 . 1 . . . . 67 PRO CA . 16520 1 466 . 1 1 67 67 PRO CB C 13 32.275 0.100 . 1 . . . . 67 PRO CB . 16520 1 467 . 1 1 67 67 PRO CD C 13 50.490 0.100 . 1 . . . . 67 PRO CD . 16520 1 468 . 1 1 67 67 PRO CG C 13 27.616 0.100 . 1 . . . . 67 PRO CG . 16520 1 469 . 1 1 68 68 ARG H H 1 7.189 0.02 . 1 . . . . 68 ARG H . 16520 1 470 . 1 1 68 68 ARG HA H 1 4.572 0.02 . 1 . . . . 68 ARG HA . 16520 1 471 . 1 1 68 68 ARG HB2 H 1 1.779 0.02 . 2 . . . . 68 ARG HB2 . 16520 1 472 . 1 1 68 68 ARG HD2 H 1 3.240 0.02 . 2 . . . . 68 ARG HD2 . 16520 1 473 . 1 1 68 68 ARG HG2 H 1 1.595 0.02 . 2 . . . . 68 ARG HG2 . 16520 1 474 . 1 1 68 68 ARG C C 13 174.799 0.100 . 1 . . . . 68 ARG C . 16520 1 475 . 1 1 68 68 ARG CA C 13 54.754 0.100 . 1 . . . . 68 ARG CA . 16520 1 476 . 1 1 68 68 ARG CB C 13 33.460 0.100 . 1 . . . . 68 ARG CB . 16520 1 477 . 1 1 68 68 ARG CD C 13 44.038 0.100 . 1 . . . . 68 ARG CD . 16520 1 478 . 1 1 68 68 ARG CG C 13 26.860 0.100 . 1 . . . . 68 ARG CG . 16520 1 479 . 1 1 68 68 ARG N N 15 114.149 0.100 . 1 . . . . 68 ARG N . 16520 1 480 . 1 1 69 69 GLY H H 1 8.435 0.02 . 1 . . . . 69 GLY H . 16520 1 481 . 1 1 69 69 GLY HA2 H 1 3.514 0.02 . 2 . . . . 69 GLY HA2 . 16520 1 482 . 1 1 69 69 GLY HA3 H 1 4.391 0.02 . 2 . . . . 69 GLY HA3 . 16520 1 483 . 1 1 69 69 GLY C C 13 172.846 0.100 . 1 . . . . 69 GLY C . 16520 1 484 . 1 1 69 69 GLY CA C 13 44.026 0.100 . 1 . . . . 69 GLY CA . 16520 1 485 . 1 1 69 69 GLY N N 15 108.397 0.100 . 1 . . . . 69 GLY N . 16520 1 486 . 1 1 70 70 ALA H H 1 7.898 0.02 . 1 . . . . 70 ALA H . 16520 1 487 . 1 1 70 70 ALA HA H 1 4.217 0.02 . 1 . . . . 70 ALA HA . 16520 1 488 . 1 1 70 70 ALA HB1 H 1 1.723 0.02 . 1 . . . . 70 ALA QB . 16520 1 489 . 1 1 70 70 ALA HB2 H 1 1.723 0.02 . 1 . . . . 70 ALA QB . 16520 1 490 . 1 1 70 70 ALA HB3 H 1 1.723 0.02 . 1 . . . . 70 ALA QB . 16520 1 491 . 1 1 70 70 ALA C C 13 181.112 0.100 . 1 . . . . 70 ALA C . 16520 1 492 . 1 1 70 70 ALA CA C 13 55.250 0.100 . 1 . . . . 70 ALA CA . 16520 1 493 . 1 1 70 70 ALA CB C 13 20.062 0.100 . 1 . . . . 70 ALA CB . 16520 1 494 . 1 1 70 70 ALA N N 15 118.408 0.100 . 1 . . . . 70 ALA N . 16520 1 495 . 1 1 71 71 ALA H H 1 8.628 0.02 . 1 . . . . 71 ALA H . 16520 1 496 . 1 1 71 71 ALA HA H 1 4.277 0.02 . 1 . . . . 71 ALA HA . 16520 1 497 . 1 1 71 71 ALA HB1 H 1 1.603 0.02 . 1 . . . . 71 ALA QB . 16520 1 498 . 1 1 71 71 ALA HB2 H 1 1.603 0.02 . 1 . . . . 71 ALA QB . 16520 1 499 . 1 1 71 71 ALA HB3 H 1 1.603 0.02 . 1 . . . . 71 ALA QB . 16520 1 500 . 1 1 71 71 ALA C C 13 181.719 0.100 . 1 . . . . 71 ALA C . 16520 1 501 . 1 1 71 71 ALA CA C 13 55.923 0.100 . 1 . . . . 71 ALA CA . 16520 1 502 . 1 1 71 71 ALA CB C 13 18.501 0.100 . 1 . . . . 71 ALA CB . 16520 1 503 . 1 1 71 71 ALA N N 15 118.377 0.100 . 1 . . . . 71 ALA N . 16520 1 504 . 1 1 72 72 ILE H H 1 9.705 0.02 . 1 . . . . 72 ILE H . 16520 1 505 . 1 1 72 72 ILE HA H 1 4.118 0.02 . 1 . . . . 72 ILE HA . 16520 1 506 . 1 1 72 72 ILE HB H 1 2.030 0.02 . 1 . . . . 72 ILE HB . 16520 1 507 . 1 1 72 72 ILE HD11 H 1 0.931 0.02 . 1 . . . . 72 ILE QD1 . 16520 1 508 . 1 1 72 72 ILE HD12 H 1 0.931 0.02 . 1 . . . . 72 ILE QD1 . 16520 1 509 . 1 1 72 72 ILE HD13 H 1 0.931 0.02 . 1 . . . . 72 ILE QD1 . 16520 1 510 . 1 1 72 72 ILE HG12 H 1 1.289 0.02 . 2 . . . . 72 ILE HG12 . 16520 1 511 . 1 1 72 72 ILE HG13 H 1 1.493 0.02 . 2 . . . . 72 ILE HG13 . 16520 1 512 . 1 1 72 72 ILE HG21 H 1 1.015 0.02 . 1 . . . . 72 ILE QG2 . 16520 1 513 . 1 1 72 72 ILE HG22 H 1 1.015 0.02 . 1 . . . . 72 ILE QG2 . 16520 1 514 . 1 1 72 72 ILE HG23 H 1 1.015 0.02 . 1 . . . . 72 ILE QG2 . 16520 1 515 . 1 1 72 72 ILE C C 13 176.297 0.100 . 1 . . . . 72 ILE C . 16520 1 516 . 1 1 72 72 ILE CA C 13 63.990 0.100 . 1 . . . . 72 ILE CA . 16520 1 517 . 1 1 72 72 ILE CB C 13 37.218 0.100 . 1 . . . . 72 ILE CB . 16520 1 518 . 1 1 72 72 ILE CD1 C 13 14.438 0.100 . 1 . . . . 72 ILE CD1 . 16520 1 519 . 1 1 72 72 ILE CG1 C 13 30.420 0.100 . 1 . . . . 72 ILE CG1 . 16520 1 520 . 1 1 72 72 ILE CG2 C 13 16.825 0.100 . 1 . . . . 72 ILE CG2 . 16520 1 521 . 1 1 72 72 ILE N N 15 123.945 0.100 . 1 . . . . 72 ILE N . 16520 1 522 . 1 1 73 73 GLN H H 1 7.132 0.02 . 1 . . . . 73 GLN H . 16520 1 523 . 1 1 73 73 GLN HA H 1 4.105 0.02 . 1 . . . . 73 GLN HA . 16520 1 524 . 1 1 73 73 GLN HB2 H 1 2.197 0.02 . 2 . . . . 73 GLN HB2 . 16520 1 525 . 1 1 73 73 GLN HE21 H 1 7.524 0.02 . 2 . . . . 73 GLN HE21 . 16520 1 526 . 1 1 73 73 GLN HE22 H 1 6.887 0.02 . 2 . . . . 73 GLN HE22 . 16520 1 527 . 1 1 73 73 GLN HG2 H 1 2.493 0.02 . 2 . . . . 73 GLN HG2 . 16520 1 528 . 1 1 73 73 GLN HG3 H 1 2.656 0.02 . 2 . . . . 73 GLN HG3 . 16520 1 529 . 1 1 73 73 GLN C C 13 177.711 0.100 . 1 . . . . 73 GLN C . 16520 1 530 . 1 1 73 73 GLN CA C 13 58.686 0.100 . 1 . . . . 73 GLN CA . 16520 1 531 . 1 1 73 73 GLN CB C 13 28.944 0.100 . 1 . . . . 73 GLN CB . 16520 1 532 . 1 1 73 73 GLN CG C 13 34.390 0.100 . 1 . . . . 73 GLN CG . 16520 1 533 . 1 1 73 73 GLN N N 15 122.240 0.100 . 1 . . . . 73 GLN N . 16520 1 534 . 1 1 73 73 GLN NE2 N 15 112.000 0.100 . 1 . . . . 73 GLN NE2 . 16520 1 535 . 1 1 74 74 ASP H H 1 7.964 0.02 . 1 . . . . 74 ASP H . 16520 1 536 . 1 1 74 74 ASP HA H 1 4.515 0.02 . 1 . . . . 74 ASP HA . 16520 1 537 . 1 1 74 74 ASP HB2 H 1 2.574 0.02 . 2 . . . . 74 ASP HB2 . 16520 1 538 . 1 1 74 74 ASP HB3 H 1 2.868 0.02 . 2 . . . . 74 ASP HB3 . 16520 1 539 . 1 1 74 74 ASP C C 13 177.695 0.100 . 1 . . . . 74 ASP C . 16520 1 540 . 1 1 74 74 ASP CA C 13 57.010 0.100 . 1 . . . . 74 ASP CA . 16520 1 541 . 1 1 74 74 ASP CB C 13 44.340 0.100 . 1 . . . . 74 ASP CB . 16520 1 542 . 1 1 74 74 ASP N N 15 118.260 0.100 . 1 . . . . 74 ASP N . 16520 1 543 . 1 1 75 75 GLY H H 1 7.838 0.02 . 1 . . . . 75 GLY H . 16520 1 544 . 1 1 75 75 GLY HA2 H 1 4.136 0.02 . 2 . . . . 75 GLY HA2 . 16520 1 545 . 1 1 75 75 GLY HA3 H 1 3.864 0.02 . 2 . . . . 75 GLY HA3 . 16520 1 546 . 1 1 75 75 GLY C C 13 174.563 0.100 . 1 . . . . 75 GLY C . 16520 1 547 . 1 1 75 75 GLY CA C 13 46.677 0.100 . 1 . . . . 75 GLY CA . 16520 1 548 . 1 1 75 75 GLY N N 15 103.138 0.100 . 1 . . . . 75 GLY N . 16520 1 549 . 1 1 76 76 ARG H H 1 7.879 0.02 . 1 . . . . 76 ARG H . 16520 1 550 . 1 1 76 76 ARG HA H 1 4.314 0.02 . 1 . . . . 76 ARG HA . 16520 1 551 . 1 1 76 76 ARG HB2 H 1 1.957 0.02 . 2 . . . . 76 ARG HB2 . 16520 1 552 . 1 1 76 76 ARG HB3 H 1 1.594 0.02 . 2 . . . . 76 ARG HB3 . 16520 1 553 . 1 1 76 76 ARG HD2 H 1 3.143 0.02 . 2 . . . . 76 ARG HD2 . 16520 1 554 . 1 1 76 76 ARG HD3 H 1 3.433 0.02 . 2 . . . . 76 ARG HD3 . 16520 1 555 . 1 1 76 76 ARG HE H 1 8.882 0.02 . 1 . . . . 76 ARG HE . 16520 1 556 . 1 1 76 76 ARG HG2 H 1 1.726 0.02 . 2 . . . . 76 ARG HG2 . 16520 1 557 . 1 1 76 76 ARG C C 13 177.000 0.100 . 1 . . . . 76 ARG C . 16520 1 558 . 1 1 76 76 ARG CA C 13 58.874 0.100 . 1 . . . . 76 ARG CA . 16520 1 559 . 1 1 76 76 ARG CB C 13 33.658 0.100 . 1 . . . . 76 ARG CB . 16520 1 560 . 1 1 76 76 ARG CD C 13 44.438 0.100 . 1 . . . . 76 ARG CD . 16520 1 561 . 1 1 76 76 ARG CG C 13 27.503 0.100 . 1 . . . . 76 ARG CG . 16520 1 562 . 1 1 76 76 ARG N N 15 118.404 0.100 . 1 . . . . 76 ARG N . 16520 1 563 . 1 1 76 76 ARG NE N 15 88.099 0.100 . 1 . . . . 76 ARG NE . 16520 1 564 . 1 1 77 77 LEU H H 1 9.398 0.02 . 1 . . . . 77 LEU H . 16520 1 565 . 1 1 77 77 LEU HA H 1 3.718 0.02 . 1 . . . . 77 LEU HA . 16520 1 566 . 1 1 77 77 LEU HB2 H 1 1.430 0.02 . 2 . . . . 77 LEU HB2 . 16520 1 567 . 1 1 77 77 LEU HB3 H 1 1.263 0.02 . 2 . . . . 77 LEU HB3 . 16520 1 568 . 1 1 77 77 LEU HD11 H 1 0.710 0.02 . 2 . . . . 77 LEU QD1 . 16520 1 569 . 1 1 77 77 LEU HD12 H 1 0.710 0.02 . 2 . . . . 77 LEU QD1 . 16520 1 570 . 1 1 77 77 LEU HD13 H 1 0.710 0.02 . 2 . . . . 77 LEU QD1 . 16520 1 571 . 1 1 77 77 LEU HD21 H 1 -0.105 0.02 . 2 . . . . 77 LEU QD2 . 16520 1 572 . 1 1 77 77 LEU HD22 H 1 -0.105 0.02 . 2 . . . . 77 LEU QD2 . 16520 1 573 . 1 1 77 77 LEU HD23 H 1 -0.105 0.02 . 2 . . . . 77 LEU QD2 . 16520 1 574 . 1 1 77 77 LEU HG H 1 1.341 0.02 . 1 . . . . 77 LEU HG . 16520 1 575 . 1 1 77 77 LEU C C 13 174.664 0.100 . 1 . . . . 77 LEU C . 16520 1 576 . 1 1 77 77 LEU CA C 13 55.757 0.100 . 1 . . . . 77 LEU CA . 16520 1 577 . 1 1 77 77 LEU CB C 13 44.340 0.100 . 1 . . . . 77 LEU CB . 16520 1 578 . 1 1 77 77 LEU CD1 C 13 24.664 0.100 . 1 . . . . 77 LEU CD1 . 16520 1 579 . 1 1 77 77 LEU CD2 C 13 25.471 0.100 . 1 . . . . 77 LEU CD2 . 16520 1 580 . 1 1 77 77 LEU CG C 13 26.653 0.100 . 1 . . . . 77 LEU CG . 16520 1 581 . 1 1 77 77 LEU N N 15 124.065 0.100 . 1 . . . . 77 LEU N . 16520 1 582 . 1 1 78 78 LYS H H 1 8.387 0.02 . 1 . . . . 78 LYS H . 16520 1 583 . 1 1 78 78 LYS HA H 1 4.594 0.02 . 1 . . . . 78 LYS HA . 16520 1 584 . 1 1 78 78 LYS HB2 H 1 1.645 0.02 . 2 . . . . 78 LYS HB2 . 16520 1 585 . 1 1 78 78 LYS HB3 H 1 1.729 0.02 . 2 . . . . 78 LYS HB3 . 16520 1 586 . 1 1 78 78 LYS HD2 H 1 1.354 0.02 . 2 . . . . 78 LYS HD2 . 16520 1 587 . 1 1 78 78 LYS HD3 H 1 1.354 0.02 . 2 . . . . 78 LYS HD3 . 16520 1 588 . 1 1 78 78 LYS HE2 H 1 2.951 0.02 . 2 . . . . 78 LYS HE2 . 16520 1 589 . 1 1 78 78 LYS C C 13 175.758 0.100 . 1 . . . . 78 LYS C . 16520 1 590 . 1 1 78 78 LYS CA C 13 54.361 0.100 . 1 . . . . 78 LYS CA . 16520 1 591 . 1 1 78 78 LYS CB C 13 37.016 0.100 . 1 . . . . 78 LYS CB . 16520 1 592 . 1 1 78 78 LYS CD C 13 29.535 0.100 . 1 . . . . 78 LYS CD . 16520 1 593 . 1 1 78 78 LYS CE C 13 42.631 0.100 . 1 . . . . 78 LYS CE . 16520 1 594 . 1 1 78 78 LYS N N 15 123.424 0.100 . 1 . . . . 78 LYS N . 16520 1 595 . 1 1 79 79 ALA H H 1 8.534 0.02 . 1 . . . . 79 ALA H . 16520 1 596 . 1 1 79 79 ALA HA H 1 3.689 0.02 . 1 . . . . 79 ALA HA . 16520 1 597 . 1 1 79 79 ALA HB1 H 1 1.351 0.02 . 1 . . . . 79 ALA QB . 16520 1 598 . 1 1 79 79 ALA HB2 H 1 1.351 0.02 . 1 . . . . 79 ALA QB . 16520 1 599 . 1 1 79 79 ALA HB3 H 1 1.351 0.02 . 1 . . . . 79 ALA QB . 16520 1 600 . 1 1 79 79 ALA C C 13 178.941 0.100 . 1 . . . . 79 ALA C . 16520 1 601 . 1 1 79 79 ALA CA C 13 53.708 0.100 . 1 . . . . 79 ALA CA . 16520 1 602 . 1 1 79 79 ALA CB C 13 18.120 0.100 . 1 . . . . 79 ALA CB . 16520 1 603 . 1 1 79 79 ALA N N 15 123.166 0.100 . 1 . . . . 79 ALA N . 16520 1 604 . 1 1 80 80 GLY H H 1 9.039 0.02 . 1 . . . . 80 GLY H . 16520 1 605 . 1 1 80 80 GLY HA2 H 1 3.606 0.02 . 2 . . . . 80 GLY HA2 . 16520 1 606 . 1 1 80 80 GLY HA3 H 1 4.510 0.02 . 2 . . . . 80 GLY HA3 . 16520 1 607 . 1 1 80 80 GLY C C 13 177.206 0.100 . 1 . . . . 80 GLY C . 16520 1 608 . 1 1 80 80 GLY CA C 13 44.987 0.100 . 1 . . . . 80 GLY CA . 16520 1 609 . 1 1 80 80 GLY N N 15 112.504 0.100 . 1 . . . . 80 GLY N . 16520 1 610 . 1 1 81 81 ASP H H 1 7.936 0.02 . 1 . . . . 81 ASP H . 16520 1 611 . 1 1 81 81 ASP HA H 1 4.695 0.02 . 1 . . . . 81 ASP HA . 16520 1 612 . 1 1 81 81 ASP HB2 H 1 2.673 0.02 . 2 . . . . 81 ASP HB2 . 16520 1 613 . 1 1 81 81 ASP HB3 H 1 2.251 0.02 . 2 . . . . 81 ASP HB3 . 16520 1 614 . 1 1 81 81 ASP C C 13 174.378 0.100 . 1 . . . . 81 ASP C . 16520 1 615 . 1 1 81 81 ASP CA C 13 56.245 0.100 . 1 . . . . 81 ASP CA . 16520 1 616 . 1 1 81 81 ASP CB C 13 40.896 0.100 . 1 . . . . 81 ASP CB . 16520 1 617 . 1 1 81 81 ASP N N 15 123.419 0.100 . 1 . . . . 81 ASP N . 16520 1 618 . 1 1 82 82 ARG H H 1 8.880 0.02 . 1 . . . . 82 ARG H . 16520 1 619 . 1 1 82 82 ARG HA H 1 4.692 0.02 . 1 . . . . 82 ARG HA . 16520 1 620 . 1 1 82 82 ARG HB2 H 1 1.924 0.02 . 2 . . . . 82 ARG HB2 . 16520 1 621 . 1 1 82 82 ARG HB3 H 1 2.148 0.02 . 2 . . . . 82 ARG HB3 . 16520 1 622 . 1 1 82 82 ARG HD2 H 1 2.909 0.02 . 2 . . . . 82 ARG HD2 . 16520 1 623 . 1 1 82 82 ARG HD3 H 1 3.138 0.02 . 2 . . . . 82 ARG HD3 . 16520 1 624 . 1 1 82 82 ARG HG2 H 1 1.161 0.02 . 2 . . . . 82 ARG HG2 . 16520 1 625 . 1 1 82 82 ARG HG3 H 1 1.240 0.02 . 2 . . . . 82 ARG HG3 . 16520 1 626 . 1 1 82 82 ARG C C 13 176.381 0.100 . 1 . . . . 82 ARG C . 16520 1 627 . 1 1 82 82 ARG CA C 13 55.305 0.100 . 1 . . . . 82 ARG CA . 16520 1 628 . 1 1 82 82 ARG CB C 13 32.686 0.100 . 1 . . . . 82 ARG CB . 16520 1 629 . 1 1 82 82 ARG CD C 13 44.340 0.100 . 1 . . . . 82 ARG CD . 16520 1 630 . 1 1 82 82 ARG CG C 13 27.291 0.100 . 1 . . . . 82 ARG CG . 16520 1 631 . 1 1 82 82 ARG N N 15 123.345 0.100 . 1 . . . . 82 ARG N . 16520 1 632 . 1 1 83 83 LEU H H 1 8.871 0.02 . 1 . . . . 83 LEU H . 16520 1 633 . 1 1 83 83 LEU HA H 1 4.352 0.02 . 1 . . . . 83 LEU HA . 16520 1 634 . 1 1 83 83 LEU HB2 H 1 1.456 0.02 . 2 . . . . 83 LEU HB2 . 16520 1 635 . 1 1 83 83 LEU HB3 H 1 1.255 0.02 . 2 . . . . 83 LEU HB3 . 16520 1 636 . 1 1 83 83 LEU HD11 H 1 1.516 0.02 . 2 . . . . 83 LEU QD1 . 16520 1 637 . 1 1 83 83 LEU HD12 H 1 1.516 0.02 . 2 . . . . 83 LEU QD1 . 16520 1 638 . 1 1 83 83 LEU HD13 H 1 1.516 0.02 . 2 . . . . 83 LEU QD1 . 16520 1 639 . 1 1 83 83 LEU HD21 H 1 0.712 0.02 . 2 . . . . 83 LEU QD2 . 16520 1 640 . 1 1 83 83 LEU HD22 H 1 0.712 0.02 . 2 . . . . 83 LEU QD2 . 16520 1 641 . 1 1 83 83 LEU HD23 H 1 0.712 0.02 . 2 . . . . 83 LEU QD2 . 16520 1 642 . 1 1 83 83 LEU HG H 1 1.514 0.02 . 1 . . . . 83 LEU HG . 16520 1 643 . 1 1 83 83 LEU C C 13 174.512 0.100 . 1 . . . . 83 LEU C . 16520 1 644 . 1 1 83 83 LEU CA C 13 55.819 0.100 . 1 . . . . 83 LEU CA . 16520 1 645 . 1 1 83 83 LEU CB C 13 42.721 0.100 . 1 . . . . 83 LEU CB . 16520 1 646 . 1 1 83 83 LEU CD1 C 13 28.067 0.100 . 1 . . . . 83 LEU CD1 . 16520 1 647 . 1 1 83 83 LEU CD2 C 13 25.584 0.100 . 1 . . . . 83 LEU CD2 . 16520 1 648 . 1 1 83 83 LEU CG C 13 28.067 0.100 . 1 . . . . 83 LEU CG . 16520 1 649 . 1 1 83 83 LEU N N 15 127.805 0.100 . 1 . . . . 83 LEU N . 16520 1 650 . 1 1 84 84 ILE H H 1 9.093 0.02 . 1 . . . . 84 ILE H . 16520 1 651 . 1 1 84 84 ILE HA H 1 4.305 0.02 . 1 . . . . 84 ILE HA . 16520 1 652 . 1 1 84 84 ILE HB H 1 1.738 0.02 . 1 . . . . 84 ILE HB . 16520 1 653 . 1 1 84 84 ILE HD11 H 1 0.673 0.02 . 1 . . . . 84 ILE QD1 . 16520 1 654 . 1 1 84 84 ILE HD12 H 1 0.673 0.02 . 1 . . . . 84 ILE QD1 . 16520 1 655 . 1 1 84 84 ILE HD13 H 1 0.673 0.02 . 1 . . . . 84 ILE QD1 . 16520 1 656 . 1 1 84 84 ILE HG12 H 1 1.269 0.02 . 2 . . . . 84 ILE HG12 . 16520 1 657 . 1 1 84 84 ILE HG13 H 1 1.164 0.02 . 2 . . . . 84 ILE HG13 . 16520 1 658 . 1 1 84 84 ILE HG21 H 1 0.970 0.02 . 1 . . . . 84 ILE QG2 . 16520 1 659 . 1 1 84 84 ILE HG22 H 1 0.970 0.02 . 1 . . . . 84 ILE QG2 . 16520 1 660 . 1 1 84 84 ILE HG23 H 1 0.970 0.02 . 1 . . . . 84 ILE QG2 . 16520 1 661 . 1 1 84 84 ILE C C 13 176.550 0.100 . 1 . . . . 84 ILE C . 16520 1 662 . 1 1 84 84 ILE CA C 13 61.974 0.100 . 1 . . . . 84 ILE CA . 16520 1 663 . 1 1 84 84 ILE CB C 13 38.513 0.100 . 1 . . . . 84 ILE CB . 16520 1 664 . 1 1 84 84 ILE CD1 C 13 11.584 0.100 . 1 . . . . 84 ILE CD1 . 16520 1 665 . 1 1 84 84 ILE CG1 C 13 26.925 0.100 . 1 . . . . 84 ILE CG1 . 16520 1 666 . 1 1 84 84 ILE CG2 C 13 18.245 0.100 . 1 . . . . 84 ILE CG2 . 16520 1 667 . 1 1 84 84 ILE N N 15 122.641 0.100 . 1 . . . . 84 ILE N . 16520 1 668 . 1 1 85 85 GLU H H 1 7.673 0.02 . 1 . . . . 85 GLU H . 16520 1 669 . 1 1 85 85 GLU HA H 1 5.290 0.02 . 1 . . . . 85 GLU HA . 16520 1 670 . 1 1 85 85 GLU HB2 H 1 1.927 0.02 . 2 . . . . 85 GLU HB2 . 16520 1 671 . 1 1 85 85 GLU HB3 H 1 2.109 0.02 . 2 . . . . 85 GLU HB3 . 16520 1 672 . 1 1 85 85 GLU HG2 H 1 1.625 0.02 . 2 . . . . 85 GLU HG2 . 16520 1 673 . 1 1 85 85 GLU HG3 H 1 1.625 0.02 . 2 . . . . 85 GLU HG3 . 16520 1 674 . 1 1 85 85 GLU C C 13 175.876 0.100 . 1 . . . . 85 GLU C . 16520 1 675 . 1 1 85 85 GLU CA C 13 55.181 0.100 . 1 . . . . 85 GLU CA . 16520 1 676 . 1 1 85 85 GLU CB C 13 35.932 0.100 . 1 . . . . 85 GLU CB . 16520 1 677 . 1 1 85 85 GLU CG C 13 36.050 0.100 . 1 . . . . 85 GLU CG . 16520 1 678 . 1 1 85 85 GLU N N 15 115.837 0.100 . 1 . . . . 85 GLU N . 16520 1 679 . 1 1 86 86 VAL H H 1 7.928 0.02 . 1 . . . . 86 VAL H . 16520 1 680 . 1 1 86 86 VAL HA H 1 4.735 0.02 . 1 . . . . 86 VAL HA . 16520 1 681 . 1 1 86 86 VAL HB H 1 1.909 0.02 . 1 . . . . 86 VAL HB . 16520 1 682 . 1 1 86 86 VAL HG11 H 1 0.945 0.02 . 2 . . . . 86 VAL QG1 . 16520 1 683 . 1 1 86 86 VAL HG12 H 1 0.945 0.02 . 2 . . . . 86 VAL QG1 . 16520 1 684 . 1 1 86 86 VAL HG13 H 1 0.945 0.02 . 2 . . . . 86 VAL QG1 . 16520 1 685 . 1 1 86 86 VAL HG21 H 1 0.819 0.02 . 2 . . . . 86 VAL QG2 . 16520 1 686 . 1 1 86 86 VAL HG22 H 1 0.819 0.02 . 2 . . . . 86 VAL QG2 . 16520 1 687 . 1 1 86 86 VAL HG23 H 1 0.819 0.02 . 2 . . . . 86 VAL QG2 . 16520 1 688 . 1 1 86 86 VAL C C 13 175.455 0.100 . 1 . . . . 86 VAL C . 16520 1 689 . 1 1 86 86 VAL CA C 13 61.170 0.100 . 1 . . . . 86 VAL CA . 16520 1 690 . 1 1 86 86 VAL CB C 13 35.069 0.100 . 1 . . . . 86 VAL CB . 16520 1 691 . 1 1 86 86 VAL CG1 C 13 22.116 0.100 . 1 . . . . 86 VAL CG1 . 16520 1 692 . 1 1 86 86 VAL CG2 C 13 21.498 0.100 . 1 . . . . 86 VAL CG2 . 16520 1 693 . 1 1 86 86 VAL N N 15 119.397 0.100 . 1 . . . . 86 VAL N . 16520 1 694 . 1 1 87 87 ASN H H 1 10.029 0.02 . 1 . . . . 87 ASN H . 16520 1 695 . 1 1 87 87 ASN HA H 1 4.568 0.02 . 1 . . . . 87 ASN HA . 16520 1 696 . 1 1 87 87 ASN HB2 H 1 2.981 0.02 . 2 . . . . 87 ASN HB2 . 16520 1 697 . 1 1 87 87 ASN HB3 H 1 3.208 0.02 . 2 . . . . 87 ASN HB3 . 16520 1 698 . 1 1 87 87 ASN HD21 H 1 7.621 0.02 . 2 . . . . 87 ASN HD21 . 16520 1 699 . 1 1 87 87 ASN HD22 H 1 6.738 0.02 . 2 . . . . 87 ASN HD22 . 16520 1 700 . 1 1 87 87 ASN C C 13 175.438 0.100 . 1 . . . . 87 ASN C . 16520 1 701 . 1 1 87 87 ASN CA C 13 54.051 0.100 . 1 . . . . 87 ASN CA . 16520 1 702 . 1 1 87 87 ASN CB C 13 36.691 0.100 . 1 . . . . 87 ASN CB . 16520 1 703 . 1 1 87 87 ASN N N 15 126.310 0.100 . 1 . . . . 87 ASN N . 16520 1 704 . 1 1 87 87 ASN ND2 N 15 111.195 0.100 . 1 . . . . 87 ASN ND2 . 16520 1 705 . 1 1 88 88 GLY H H 1 8.859 0.02 . 1 . . . . 88 GLY H . 16520 1 706 . 1 1 88 88 GLY HA2 H 1 3.749 0.02 . 2 . . . . 88 GLY HA2 . 16520 1 707 . 1 1 88 88 GLY HA3 H 1 4.049 0.02 . 2 . . . . 88 GLY HA3 . 16520 1 708 . 1 1 88 88 GLY C C 13 173.654 0.100 . 1 . . . . 88 GLY C . 16520 1 709 . 1 1 88 88 GLY CA C 13 45.610 0.100 . 1 . . . . 88 GLY CA . 16520 1 710 . 1 1 88 88 GLY N N 15 103.110 0.100 . 1 . . . . 88 GLY N . 16520 1 711 . 1 1 89 89 VAL H H 1 8.118 0.02 . 1 . . . . 89 VAL H . 16520 1 712 . 1 1 89 89 VAL HA H 1 4.013 0.02 . 1 . . . . 89 VAL HA . 16520 1 713 . 1 1 89 89 VAL HB H 1 2.386 0.02 . 1 . . . . 89 VAL HB . 16520 1 714 . 1 1 89 89 VAL HG11 H 1 0.919 0.02 . 2 . . . . 89 VAL QG1 . 16520 1 715 . 1 1 89 89 VAL HG12 H 1 0.919 0.02 . 2 . . . . 89 VAL QG1 . 16520 1 716 . 1 1 89 89 VAL HG13 H 1 0.919 0.02 . 2 . . . . 89 VAL QG1 . 16520 1 717 . 1 1 89 89 VAL HG21 H 1 0.959 0.02 . 2 . . . . 89 VAL QG2 . 16520 1 718 . 1 1 89 89 VAL HG22 H 1 0.959 0.02 . 2 . . . . 89 VAL QG2 . 16520 1 719 . 1 1 89 89 VAL HG23 H 1 0.959 0.02 . 2 . . . . 89 VAL QG2 . 16520 1 720 . 1 1 89 89 VAL C C 13 175.085 0.100 . 1 . . . . 89 VAL C . 16520 1 721 . 1 1 89 89 VAL CA C 13 62.299 0.100 . 1 . . . . 89 VAL CA . 16520 1 722 . 1 1 89 89 VAL CB C 13 32.363 0.100 . 1 . . . . 89 VAL CB . 16520 1 723 . 1 1 89 89 VAL CG1 C 13 21.181 0.100 . 1 . . . . 89 VAL CG1 . 16520 1 724 . 1 1 89 89 VAL CG2 C 13 21.161 0.100 . 1 . . . . 89 VAL CG2 . 16520 1 725 . 1 1 89 89 VAL N N 15 123.289 0.100 . 1 . . . . 89 VAL N . 16520 1 726 . 1 1 90 90 ASP H H 1 8.508 0.02 . 1 . . . . 90 ASP H . 16520 1 727 . 1 1 90 90 ASP HA H 1 4.601 0.02 . 1 . . . . 90 ASP HA . 16520 1 728 . 1 1 90 90 ASP HB2 H 1 2.762 0.02 . 2 . . . . 90 ASP HB2 . 16520 1 729 . 1 1 90 90 ASP C C 13 177.000 0.100 . 1 . . . . 90 ASP C . 16520 1 730 . 1 1 90 90 ASP CA C 13 55.299 0.100 . 1 . . . . 90 ASP CA . 16520 1 731 . 1 1 90 90 ASP CB C 13 42.661 0.100 . 1 . . . . 90 ASP CB . 16520 1 732 . 1 1 90 90 ASP N N 15 126.921 0.100 . 1 . . . . 90 ASP N . 16520 1 733 . 1 1 91 91 LEU H H 1 7.604 0.02 . 1 . . . . 91 LEU H . 16520 1 734 . 1 1 91 91 LEU HA H 1 4.199 0.02 . 1 . . . . 91 LEU HA . 16520 1 735 . 1 1 91 91 LEU HB3 H 1 1.619 0.02 . 2 . . . . 91 LEU HB3 . 16520 1 736 . 1 1 91 91 LEU HD11 H 1 0.714 0.02 . 2 . . . . 91 LEU QD1 . 16520 1 737 . 1 1 91 91 LEU HD12 H 1 0.714 0.02 . 2 . . . . 91 LEU QD1 . 16520 1 738 . 1 1 91 91 LEU HD13 H 1 0.714 0.02 . 2 . . . . 91 LEU QD1 . 16520 1 739 . 1 1 91 91 LEU HD21 H 1 0.766 0.02 . 2 . . . . 91 LEU QD2 . 16520 1 740 . 1 1 91 91 LEU HD22 H 1 0.766 0.02 . 2 . . . . 91 LEU QD2 . 16520 1 741 . 1 1 91 91 LEU HD23 H 1 0.766 0.02 . 2 . . . . 91 LEU QD2 . 16520 1 742 . 1 1 91 91 LEU HG H 1 1.732 0.02 . 1 . . . . 91 LEU HG . 16520 1 743 . 1 1 91 91 LEU C C 13 177.745 0.100 . 1 . . . . 91 LEU C . 16520 1 744 . 1 1 91 91 LEU CA C 13 54.809 0.100 . 1 . . . . 91 LEU CA . 16520 1 745 . 1 1 91 91 LEU CB C 13 41.544 0.100 . 1 . . . . 91 LEU CB . 16520 1 746 . 1 1 91 91 LEU CD1 C 13 22.469 0.100 . 1 . . . . 91 LEU CD1 . 16520 1 747 . 1 1 91 91 LEU CD2 C 13 26.329 0.100 . 1 . . . . 91 LEU CD2 . 16520 1 748 . 1 1 91 91 LEU CG C 13 26.661 0.100 . 1 . . . . 91 LEU CG . 16520 1 749 . 1 1 91 91 LEU N N 15 122.014 0.100 . 1 . . . . 91 LEU N . 16520 1 750 . 1 1 92 92 VAL H H 1 8.310 0.02 . 1 . . . . 92 VAL H . 16520 1 751 . 1 1 92 92 VAL HA H 1 3.733 0.02 . 1 . . . . 92 VAL HA . 16520 1 752 . 1 1 92 92 VAL HB H 1 2.114 0.02 . 1 . . . . 92 VAL HB . 16520 1 753 . 1 1 92 92 VAL HG11 H 1 1.085 0.02 . 2 . . . . 92 VAL QG1 . 16520 1 754 . 1 1 92 92 VAL HG12 H 1 1.085 0.02 . 2 . . . . 92 VAL QG1 . 16520 1 755 . 1 1 92 92 VAL HG13 H 1 1.085 0.02 . 2 . . . . 92 VAL QG1 . 16520 1 756 . 1 1 92 92 VAL HG21 H 1 0.896 0.02 . 2 . . . . 92 VAL QG2 . 16520 1 757 . 1 1 92 92 VAL HG22 H 1 0.896 0.02 . 2 . . . . 92 VAL QG2 . 16520 1 758 . 1 1 92 92 VAL HG23 H 1 0.896 0.02 . 2 . . . . 92 VAL QG2 . 16520 1 759 . 1 1 92 92 VAL C C 13 177.543 0.100 . 1 . . . . 92 VAL C . 16520 1 760 . 1 1 92 92 VAL CA C 13 65.810 0.100 . 1 . . . . 92 VAL CA . 16520 1 761 . 1 1 92 92 VAL CB C 13 30.867 0.100 . 1 . . . . 92 VAL CB . 16520 1 762 . 1 1 92 92 VAL CG1 C 13 22.778 0.100 . 1 . . . . 92 VAL CG1 . 16520 1 763 . 1 1 92 92 VAL CG2 C 13 20.837 0.100 . 1 . . . . 92 VAL CG2 . 16520 1 764 . 1 1 92 92 VAL N N 15 123.612 0.100 . 1 . . . . 92 VAL N . 16520 1 765 . 1 1 93 93 GLY H H 1 8.686 0.02 . 1 . . . . 93 GLY H . 16520 1 766 . 1 1 93 93 GLY HA2 H 1 4.231 0.02 . 2 . . . . 93 GLY HA2 . 16520 1 767 . 1 1 93 93 GLY HA3 H 1 3.755 0.02 . 2 . . . . 93 GLY HA3 . 16520 1 768 . 1 1 93 93 GLY C C 13 174.563 0.100 . 1 . . . . 93 GLY C . 16520 1 769 . 1 1 93 93 GLY CA C 13 45.827 0.100 . 1 . . . . 93 GLY CA . 16520 1 770 . 1 1 93 93 GLY N N 15 115.291 0.100 . 1 . . . . 93 GLY N . 16520 1 771 . 1 1 94 94 LYS H H 1 7.829 0.02 . 1 . . . . 94 LYS H . 16520 1 772 . 1 1 94 94 LYS HA H 1 4.693 0.02 . 1 . . . . 94 LYS HA . 16520 1 773 . 1 1 94 94 LYS HB2 H 1 1.902 0.02 . 2 . . . . 94 LYS HB2 . 16520 1 774 . 1 1 94 94 LYS HB3 H 1 1.703 0.02 . 2 . . . . 94 LYS HB3 . 16520 1 775 . 1 1 94 94 LYS HD2 H 1 1.506 0.02 . 2 . . . . 94 LYS HD2 . 16520 1 776 . 1 1 94 94 LYS HE2 H 1 2.945 0.02 . 2 . . . . 94 LYS HE2 . 16520 1 777 . 1 1 94 94 LYS HG2 H 1 1.340 0.02 . 2 . . . . 94 LYS HG2 . 16520 1 778 . 1 1 94 94 LYS C C 13 176.364 0.100 . 1 . . . . 94 LYS C . 16520 1 779 . 1 1 94 94 LYS CA C 13 55.545 0.100 . 1 . . . . 94 LYS CA . 16520 1 780 . 1 1 94 94 LYS CB C 13 33.779 0.100 . 1 . . . . 94 LYS CB . 16520 1 781 . 1 1 94 94 LYS CD C 13 29.126 0.100 . 1 . . . . 94 LYS CD . 16520 1 782 . 1 1 94 94 LYS CE C 13 42.744 0.100 . 1 . . . . 94 LYS CE . 16520 1 783 . 1 1 94 94 LYS CG C 13 26.148 0.100 . 1 . . . . 94 LYS CG . 16520 1 784 . 1 1 94 94 LYS N N 15 119.665 0.100 . 1 . . . . 94 LYS N . 16520 1 785 . 1 1 95 95 SER H H 1 9.186 0.02 . 1 . . . . 95 SER H . 16520 1 786 . 1 1 95 95 SER HA H 1 4.592 0.02 . 1 . . . . 95 SER HA . 16520 1 787 . 1 1 95 95 SER HB2 H 1 4.446 0.02 . 2 . . . . 95 SER HB2 . 16520 1 788 . 1 1 95 95 SER HB3 H 1 4.107 0.02 . 2 . . . . 95 SER HB3 . 16520 1 789 . 1 1 95 95 SER C C 13 175.034 0.100 . 1 . . . . 95 SER C . 16520 1 790 . 1 1 95 95 SER CA C 13 57.181 0.100 . 1 . . . . 95 SER CA . 16520 1 791 . 1 1 95 95 SER CB C 13 66.028 0.100 . 1 . . . . 95 SER CB . 16520 1 792 . 1 1 95 95 SER N N 15 118.719 0.100 . 1 . . . . 95 SER N . 16520 1 793 . 1 1 96 96 GLN H H 1 9.156 0.02 . 1 . . . . 96 GLN H . 16520 1 794 . 1 1 96 96 GLN HA H 1 3.825 0.02 . 1 . . . . 96 GLN HA . 16520 1 795 . 1 1 96 96 GLN HB2 H 1 2.077 0.02 . 2 . . . . 96 GLN HB2 . 16520 1 796 . 1 1 96 96 GLN HB3 H 1 2.268 0.02 . 2 . . . . 96 GLN HB3 . 16520 1 797 . 1 1 96 96 GLN HE21 H 1 7.403 0.02 . 2 . . . . 96 GLN HE21 . 16520 1 798 . 1 1 96 96 GLN HE22 H 1 6.868 0.02 . 2 . . . . 96 GLN HE22 . 16520 1 799 . 1 1 96 96 GLN HG3 H 1 2.291 0.02 . 2 . . . . 96 GLN HG3 . 16520 1 800 . 1 1 96 96 GLN C C 13 177.762 0.100 . 1 . . . . 96 GLN C . 16520 1 801 . 1 1 96 96 GLN CA C 13 60.525 0.100 . 1 . . . . 96 GLN CA . 16520 1 802 . 1 1 96 96 GLN CB C 13 28.436 0.100 . 1 . . . . 96 GLN CB . 16520 1 803 . 1 1 96 96 GLN CG C 13 34.164 0.100 . 1 . . . . 96 GLN CG . 16520 1 804 . 1 1 96 96 GLN N N 15 120.654 0.100 . 1 . . . . 96 GLN N . 16520 1 805 . 1 1 96 96 GLN NE2 N 15 110.367 0.100 . 1 . . . . 96 GLN NE2 . 16520 1 806 . 1 1 97 97 GLU H H 1 8.778 0.02 . 1 . . . . 97 GLU H . 16520 1 807 . 1 1 97 97 GLU HA H 1 4.021 0.02 . 1 . . . . 97 GLU HA . 16520 1 808 . 1 1 97 97 GLU HB2 H 1 1.998 0.02 . 2 . . . . 97 GLU HB2 . 16520 1 809 . 1 1 97 97 GLU HB3 H 1 2.108 0.02 . 2 . . . . 97 GLU HB3 . 16520 1 810 . 1 1 97 97 GLU HG2 H 1 2.430 0.02 . 2 . . . . 97 GLU HG2 . 16520 1 811 . 1 1 97 97 GLU HG3 H 1 2.349 0.02 . 2 . . . . 97 GLU HG3 . 16520 1 812 . 1 1 97 97 GLU C C 13 179.580 0.100 . 1 . . . . 97 GLU C . 16520 1 813 . 1 1 97 97 GLU CA C 13 60.201 0.100 . 1 . . . . 97 GLU CA . 16520 1 814 . 1 1 97 97 GLU CB C 13 29.126 0.100 . 1 . . . . 97 GLU CB . 16520 1 815 . 1 1 97 97 GLU CG C 13 36.921 0.100 . 1 . . . . 97 GLU CG . 16520 1 816 . 1 1 97 97 GLU N N 15 117.521 0.100 . 1 . . . . 97 GLU N . 16520 1 817 . 1 1 98 98 GLU H H 1 7.904 0.02 . 1 . . . . 98 GLU H . 16520 1 818 . 1 1 98 98 GLU HA H 1 4.088 0.02 . 1 . . . . 98 GLU HA . 16520 1 819 . 1 1 98 98 GLU HB2 H 1 2.465 0.02 . 2 . . . . 98 GLU HB2 . 16520 1 820 . 1 1 98 98 GLU HB3 H 1 1.978 0.02 . 2 . . . . 98 GLU HB3 . 16520 1 821 . 1 1 98 98 GLU HG2 H 1 2.290 0.02 . 2 . . . . 98 GLU HG2 . 16520 1 822 . 1 1 98 98 GLU HG3 H 1 2.446 0.02 . 2 . . . . 98 GLU HG3 . 16520 1 823 . 1 1 98 98 GLU C C 13 179.681 0.100 . 1 . . . . 98 GLU C . 16520 1 824 . 1 1 98 98 GLU CA C 13 59.339 0.100 . 1 . . . . 98 GLU CA . 16520 1 825 . 1 1 98 98 GLU CB C 13 30.220 0.100 . 1 . . . . 98 GLU CB . 16520 1 826 . 1 1 98 98 GLU CG C 13 37.816 0.100 . 1 . . . . 98 GLU CG . 16520 1 827 . 1 1 98 98 GLU N N 15 120.664 0.100 . 1 . . . . 98 GLU N . 16520 1 828 . 1 1 99 99 VAL H H 1 8.178 0.02 . 1 . . . . 99 VAL H . 16520 1 829 . 1 1 99 99 VAL HA H 1 3.553 0.02 . 1 . . . . 99 VAL HA . 16520 1 830 . 1 1 99 99 VAL HB H 1 2.230 0.02 . 1 . . . . 99 VAL HB . 16520 1 831 . 1 1 99 99 VAL HG11 H 1 1.077 0.02 . 2 . . . . 99 VAL QG1 . 16520 1 832 . 1 1 99 99 VAL HG12 H 1 1.077 0.02 . 2 . . . . 99 VAL QG1 . 16520 1 833 . 1 1 99 99 VAL HG13 H 1 1.077 0.02 . 2 . . . . 99 VAL QG1 . 16520 1 834 . 1 1 99 99 VAL HG21 H 1 0.911 0.02 . 2 . . . . 99 VAL QG2 . 16520 1 835 . 1 1 99 99 VAL HG22 H 1 0.911 0.02 . 2 . . . . 99 VAL QG2 . 16520 1 836 . 1 1 99 99 VAL HG23 H 1 0.911 0.02 . 2 . . . . 99 VAL QG2 . 16520 1 837 . 1 1 99 99 VAL C C 13 177.560 0.100 . 1 . . . . 99 VAL C . 16520 1 838 . 1 1 99 99 VAL CA C 13 67.646 0.100 . 1 . . . . 99 VAL CA . 16520 1 839 . 1 1 99 99 VAL CB C 13 31.315 0.100 . 1 . . . . 99 VAL CB . 16520 1 840 . 1 1 99 99 VAL CG1 C 13 24.194 0.100 . 1 . . . . 99 VAL CG1 . 16520 1 841 . 1 1 99 99 VAL CG2 C 13 22.078 0.100 . 1 . . . . 99 VAL CG2 . 16520 1 842 . 1 1 99 99 VAL N N 15 121.448 0.100 . 1 . . . . 99 VAL N . 16520 1 843 . 1 1 100 100 VAL H H 1 8.651 0.02 . 1 . . . . 100 VAL H . 16520 1 844 . 1 1 100 100 VAL HA H 1 3.545 0.02 . 1 . . . . 100 VAL HA . 16520 1 845 . 1 1 100 100 VAL HB H 1 2.204 0.02 . 1 . . . . 100 VAL HB . 16520 1 846 . 1 1 100 100 VAL HG11 H 1 1.142 0.02 . 2 . . . . 100 VAL QG1 . 16520 1 847 . 1 1 100 100 VAL HG12 H 1 1.142 0.02 . 2 . . . . 100 VAL QG1 . 16520 1 848 . 1 1 100 100 VAL HG13 H 1 1.142 0.02 . 2 . . . . 100 VAL QG1 . 16520 1 849 . 1 1 100 100 VAL HG21 H 1 0.982 0.02 . 2 . . . . 100 VAL QG2 . 16520 1 850 . 1 1 100 100 VAL HG22 H 1 0.982 0.02 . 2 . . . . 100 VAL QG2 . 16520 1 851 . 1 1 100 100 VAL HG23 H 1 0.982 0.02 . 2 . . . . 100 VAL QG2 . 16520 1 852 . 1 1 100 100 VAL C C 13 178.907 0.100 . 1 . . . . 100 VAL C . 16520 1 853 . 1 1 100 100 VAL CA C 13 67.733 0.100 . 1 . . . . 100 VAL CA . 16520 1 854 . 1 1 100 100 VAL CB C 13 31.715 0.100 . 1 . . . . 100 VAL CB . 16520 1 855 . 1 1 100 100 VAL CG1 C 13 23.489 0.100 . 1 . . . . 100 VAL CG1 . 16520 1 856 . 1 1 100 100 VAL CG2 C 13 21.519 0.100 . 1 . . . . 100 VAL CG2 . 16520 1 857 . 1 1 100 100 VAL N N 15 120.601 0.100 . 1 . . . . 100 VAL N . 16520 1 858 . 1 1 101 101 SER H H 1 8.033 0.02 . 1 . . . . 101 SER H . 16520 1 859 . 1 1 101 101 SER HA H 1 4.165 0.02 . 1 . . . . 101 SER HA . 16520 1 860 . 1 1 101 101 SER HB2 H 1 4.009 0.02 . 2 . . . . 101 SER HB2 . 16520 1 861 . 1 1 101 101 SER C C 13 174.664 0.100 . 1 . . . . 101 SER C . 16520 1 862 . 1 1 101 101 SER CA C 13 62.143 0.100 . 1 . . . . 101 SER CA . 16520 1 863 . 1 1 101 101 SER N N 15 114.609 0.100 . 1 . . . . 101 SER N . 16520 1 864 . 1 1 102 102 LEU H H 1 7.929 0.02 . 1 . . . . 102 LEU H . 16520 1 865 . 1 1 102 102 LEU HA H 1 4.160 0.02 . 1 . . . . 102 LEU HA . 16520 1 866 . 1 1 102 102 LEU HB2 H 1 2.030 0.02 . 2 . . . . 102 LEU HB2 . 16520 1 867 . 1 1 102 102 LEU HB3 H 1 1.637 0.02 . 2 . . . . 102 LEU HB3 . 16520 1 868 . 1 1 102 102 LEU HD11 H 1 0.906 0.02 . 2 . . . . 102 LEU QD1 . 16520 1 869 . 1 1 102 102 LEU HD12 H 1 0.906 0.02 . 2 . . . . 102 LEU QD1 . 16520 1 870 . 1 1 102 102 LEU HD13 H 1 0.906 0.02 . 2 . . . . 102 LEU QD1 . 16520 1 871 . 1 1 102 102 LEU HD21 H 1 0.874 0.02 . 2 . . . . 102 LEU QD2 . 16520 1 872 . 1 1 102 102 LEU HD22 H 1 0.874 0.02 . 2 . . . . 102 LEU QD2 . 16520 1 873 . 1 1 102 102 LEU HD23 H 1 0.874 0.02 . 2 . . . . 102 LEU QD2 . 16520 1 874 . 1 1 102 102 LEU HG H 1 1.812 0.02 . 1 . . . . 102 LEU HG . 16520 1 875 . 1 1 102 102 LEU C C 13 180.153 0.100 . 1 . . . . 102 LEU C . 16520 1 876 . 1 1 102 102 LEU CA C 13 58.259 0.100 . 1 . . . . 102 LEU CA . 16520 1 877 . 1 1 102 102 LEU CB C 13 42.397 0.100 . 1 . . . . 102 LEU CB . 16520 1 878 . 1 1 102 102 LEU CD1 C 13 24.396 0.100 . 1 . . . . 102 LEU CD1 . 16520 1 879 . 1 1 102 102 LEU CD2 C 13 24.720 0.100 . 1 . . . . 102 LEU CD2 . 16520 1 880 . 1 1 102 102 LEU CG C 13 27.183 0.100 . 1 . . . . 102 LEU CG . 16520 1 881 . 1 1 102 102 LEU N N 15 123.172 0.100 . 1 . . . . 102 LEU N . 16520 1 882 . 1 1 103 103 LEU H H 1 8.131 0.02 . 1 . . . . 103 LEU H . 16520 1 883 . 1 1 103 103 LEU HA H 1 3.947 0.02 . 1 . . . . 103 LEU HA . 16520 1 884 . 1 1 103 103 LEU HB2 H 1 2.061 0.02 . 2 . . . . 103 LEU HB2 . 16520 1 885 . 1 1 103 103 LEU HB3 H 1 1.358 0.02 . 2 . . . . 103 LEU HB3 . 16520 1 886 . 1 1 103 103 LEU HD11 H 1 0.789 0.02 . 2 . . . . 103 LEU QD1 . 16520 1 887 . 1 1 103 103 LEU HD12 H 1 0.789 0.02 . 2 . . . . 103 LEU QD1 . 16520 1 888 . 1 1 103 103 LEU HD13 H 1 0.789 0.02 . 2 . . . . 103 LEU QD1 . 16520 1 889 . 1 1 103 103 LEU HD21 H 1 0.869 0.02 . 2 . . . . 103 LEU QD2 . 16520 1 890 . 1 1 103 103 LEU HD22 H 1 0.869 0.02 . 2 . . . . 103 LEU QD2 . 16520 1 891 . 1 1 103 103 LEU HD23 H 1 0.869 0.02 . 2 . . . . 103 LEU QD2 . 16520 1 892 . 1 1 103 103 LEU HG H 1 1.865 0.02 . 1 . . . . 103 LEU HG . 16520 1 893 . 1 1 103 103 LEU C C 13 179.698 0.100 . 1 . . . . 103 LEU C . 16520 1 894 . 1 1 103 103 LEU CA C 13 58.045 0.100 . 1 . . . . 103 LEU CA . 16520 1 895 . 1 1 103 103 LEU CB C 13 41.750 0.100 . 1 . . . . 103 LEU CB . 16520 1 896 . 1 1 103 103 LEU CD1 C 13 26.337 0.100 . 1 . . . . 103 LEU CD1 . 16520 1 897 . 1 1 103 103 LEU CD2 C 13 24.342 0.100 . 1 . . . . 103 LEU CD2 . 16520 1 898 . 1 1 103 103 LEU CG C 13 27.300 0.100 . 1 . . . . 103 LEU CG . 16520 1 899 . 1 1 103 103 LEU N N 15 118.958 0.100 . 1 . . . . 103 LEU N . 16520 1 900 . 1 1 104 104 ARG H H 1 8.514 0.02 . 1 . . . . 104 ARG H . 16520 1 901 . 1 1 104 104 ARG HA H 1 4.188 0.02 . 1 . . . . 104 ARG HA . 16520 1 902 . 1 1 104 104 ARG HB2 H 1 1.995 0.02 . 2 . . . . 104 ARG HB2 . 16520 1 903 . 1 1 104 104 ARG HB3 H 1 1.886 0.02 . 2 . . . . 104 ARG HB3 . 16520 1 904 . 1 1 104 104 ARG HD2 H 1 3.213 0.02 . 2 . . . . 104 ARG HD2 . 16520 1 905 . 1 1 104 104 ARG HD3 H 1 3.213 0.02 . 2 . . . . 104 ARG HD3 . 16520 1 906 . 1 1 104 104 ARG HG2 H 1 1.863 0.02 . 2 . . . . 104 ARG HG2 . 16520 1 907 . 1 1 104 104 ARG HG3 H 1 1.723 0.02 . 2 . . . . 104 ARG HG3 . 16520 1 908 . 1 1 104 104 ARG C C 13 177.000 0.100 . 1 . . . . 104 ARG C . 16520 1 909 . 1 1 104 104 ARG CA C 13 58.689 0.100 . 1 . . . . 104 ARG CA . 16520 1 910 . 1 1 104 104 ARG CB C 13 30.867 0.100 . 1 . . . . 104 ARG CB . 16520 1 911 . 1 1 104 104 ARG CD C 13 44.016 0.100 . 1 . . . . 104 ARG CD . 16520 1 912 . 1 1 104 104 ARG CG C 13 27.831 0.100 . 1 . . . . 104 ARG CG . 16520 1 913 . 1 1 104 104 ARG N N 15 119.740 0.100 . 1 . . . . 104 ARG N . 16520 1 914 . 1 1 105 105 SER H H 1 7.738 0.02 . 1 . . . . 105 SER H . 16520 1 915 . 1 1 105 105 SER HA H 1 4.360 0.02 . 1 . . . . 105 SER HA . 16520 1 916 . 1 1 105 105 SER HB2 H 1 4.082 0.02 . 2 . . . . 105 SER HB2 . 16520 1 917 . 1 1 105 105 SER C C 13 174.580 0.100 . 1 . . . . 105 SER C . 16520 1 918 . 1 1 105 105 SER CA C 13 60.036 0.100 . 1 . . . . 105 SER CA . 16520 1 919 . 1 1 105 105 SER CB C 13 64.192 0.100 . 1 . . . . 105 SER CB . 16520 1 920 . 1 1 105 105 SER N N 15 113.331 0.100 . 1 . . . . 105 SER N . 16520 1 921 . 1 1 106 106 THR H H 1 7.449 0.02 . 1 . . . . 106 THR H . 16520 1 922 . 1 1 106 106 THR HA H 1 4.138 0.02 . 1 . . . . 106 THR HA . 16520 1 923 . 1 1 106 106 THR HB H 1 4.058 0.02 . 1 . . . . 106 THR HB . 16520 1 924 . 1 1 106 106 THR HG21 H 1 1.307 0.02 . 1 . . . . 106 THR QG2 . 16520 1 925 . 1 1 106 106 THR HG22 H 1 1.307 0.02 . 1 . . . . 106 THR QG2 . 16520 1 926 . 1 1 106 106 THR HG23 H 1 1.307 0.02 . 1 . . . . 106 THR QG2 . 16520 1 927 . 1 1 106 106 THR C C 13 174.378 0.100 . 1 . . . . 106 THR C . 16520 1 928 . 1 1 106 106 THR CA C 13 63.718 0.100 . 1 . . . . 106 THR CA . 16520 1 929 . 1 1 106 106 THR CB C 13 69.693 0.100 . 1 . . . . 106 THR CB . 16520 1 930 . 1 1 106 106 THR CG2 C 13 21.519 0.100 . 1 . . . . 106 THR CG2 . 16520 1 931 . 1 1 106 106 THR N N 15 117.105 0.100 . 1 . . . . 106 THR N . 16520 1 932 . 1 1 107 107 LYS H H 1 8.730 0.02 . 1 . . . . 107 LYS H . 16520 1 933 . 1 1 107 107 LYS HA H 1 4.305 0.02 . 1 . . . . 107 LYS HA . 16520 1 934 . 1 1 107 107 LYS HB2 H 1 1.785 0.02 . 2 . . . . 107 LYS HB2 . 16520 1 935 . 1 1 107 107 LYS HB3 H 1 1.937 0.02 . 2 . . . . 107 LYS HB3 . 16520 1 936 . 1 1 107 107 LYS HE2 H 1 3.076 0.02 . 2 . . . . 107 LYS HE2 . 16520 1 937 . 1 1 107 107 LYS HE3 H 1 3.076 0.02 . 2 . . . . 107 LYS HE3 . 16520 1 938 . 1 1 107 107 LYS HG2 H 1 1.580 0.02 . 2 . . . . 107 LYS HG2 . 16520 1 939 . 1 1 107 107 LYS HG3 H 1 1.580 0.02 . 2 . . . . 107 LYS HG3 . 16520 1 940 . 1 1 107 107 LYS C C 13 177.189 0.100 . 1 . . . . 107 LYS C . 16520 1 941 . 1 1 107 107 LYS CA C 13 56.421 0.100 . 1 . . . . 107 LYS CA . 16520 1 942 . 1 1 107 107 LYS CB C 13 33.455 0.100 . 1 . . . . 107 LYS CB . 16520 1 943 . 1 1 107 107 LYS CE C 13 42.191 0.100 . 1 . . . . 107 LYS CE . 16520 1 944 . 1 1 107 107 LYS CG C 13 24.918 0.100 . 1 . . . . 107 LYS CG . 16520 1 945 . 1 1 107 107 LYS N N 15 126.547 0.100 . 1 . . . . 107 LYS N . 16520 1 946 . 1 1 108 108 MET H H 1 8.548 0.02 . 1 . . . . 108 MET H . 16520 1 947 . 1 1 108 108 MET HA H 1 4.230 0.02 . 1 . . . . 108 MET HA . 16520 1 948 . 1 1 108 108 MET HB2 H 1 2.110 0.02 . 2 . . . . 108 MET HB2 . 16520 1 949 . 1 1 108 108 MET HE1 H 1 2.107 0.02 . 1 . . . . 108 MET QE . 16520 1 950 . 1 1 108 108 MET HE2 H 1 2.107 0.02 . 1 . . . . 108 MET QE . 16520 1 951 . 1 1 108 108 MET HE3 H 1 2.107 0.02 . 1 . . . . 108 MET QE . 16520 1 952 . 1 1 108 108 MET HG2 H 1 2.674 0.02 . 2 . . . . 108 MET HG2 . 16520 1 953 . 1 1 108 108 MET C C 13 177.291 0.100 . 1 . . . . 108 MET C . 16520 1 954 . 1 1 108 108 MET CA C 13 57.074 0.100 . 1 . . . . 108 MET CA . 16520 1 955 . 1 1 108 108 MET CB C 13 31.392 0.100 . 1 . . . . 108 MET CB . 16520 1 956 . 1 1 108 108 MET CE C 13 16.954 0.100 . 1 . . . . 108 MET CE . 16520 1 957 . 1 1 108 108 MET CG C 13 32.245 0.100 . 1 . . . . 108 MET CG . 16520 1 958 . 1 1 108 108 MET N N 15 120.800 0.100 . 1 . . . . 108 MET N . 16520 1 959 . 1 1 109 109 GLU H H 1 8.901 0.02 . 1 . . . . 109 GLU H . 16520 1 960 . 1 1 109 109 GLU HA H 1 3.963 0.02 . 1 . . . . 109 GLU HA . 16520 1 961 . 1 1 109 109 GLU HB2 H 1 2.320 0.02 . 2 . . . . 109 GLU HB2 . 16520 1 962 . 1 1 109 109 GLU HG2 H 1 2.296 0.02 . 2 . . . . 109 GLU HG2 . 16520 1 963 . 1 1 109 109 GLU C C 13 175.944 0.100 . 1 . . . . 109 GLU C . 16520 1 964 . 1 1 109 109 GLU CA C 13 58.368 0.100 . 1 . . . . 109 GLU CA . 16520 1 965 . 1 1 109 109 GLU CB C 13 27.955 0.100 . 1 . . . . 109 GLU CB . 16520 1 966 . 1 1 109 109 GLU CG C 13 37.099 0.100 . 1 . . . . 109 GLU CG . 16520 1 967 . 1 1 109 109 GLU N N 15 118.703 0.100 . 1 . . . . 109 GLU N . 16520 1 968 . 1 1 110 110 GLY H H 1 8.550 0.02 . 1 . . . . 110 GLY H . 16520 1 969 . 1 1 110 110 GLY HA2 H 1 3.792 0.02 . 2 . . . . 110 GLY HA2 . 16520 1 970 . 1 1 110 110 GLY HA3 H 1 4.247 0.02 . 2 . . . . 110 GLY HA3 . 16520 1 971 . 1 1 110 110 GLY C C 13 172.677 0.100 . 1 . . . . 110 GLY C . 16520 1 972 . 1 1 110 110 GLY CA C 13 44.663 0.100 . 1 . . . . 110 GLY CA . 16520 1 973 . 1 1 110 110 GLY N N 15 108.908 0.100 . 1 . . . . 110 GLY N . 16520 1 974 . 1 1 111 111 THR H H 1 8.280 0.02 . 1 . . . . 111 THR H . 16520 1 975 . 1 1 111 111 THR HA H 1 5.099 0.02 . 1 . . . . 111 THR HA . 16520 1 976 . 1 1 111 111 THR HB H 1 3.960 0.02 . 1 . . . . 111 THR HB . 16520 1 977 . 1 1 111 111 THR HG21 H 1 1.059 0.02 . 1 . . . . 111 THR QG2 . 16520 1 978 . 1 1 111 111 THR HG22 H 1 1.059 0.02 . 1 . . . . 111 THR QG2 . 16520 1 979 . 1 1 111 111 THR HG23 H 1 1.059 0.02 . 1 . . . . 111 THR QG2 . 16520 1 980 . 1 1 111 111 THR C C 13 174.462 0.100 . 1 . . . . 111 THR C . 16520 1 981 . 1 1 111 111 THR CA C 13 61.496 0.100 . 1 . . . . 111 THR CA . 16520 1 982 . 1 1 111 111 THR CB C 13 71.073 0.100 . 1 . . . . 111 THR CB . 16520 1 983 . 1 1 111 111 THR CG2 C 13 21.726 0.100 . 1 . . . . 111 THR CG2 . 16520 1 984 . 1 1 111 111 THR N N 15 113.930 0.100 . 1 . . . . 111 THR N . 16520 1 985 . 1 1 112 112 VAL H H 1 9.352 0.02 . 1 . . . . 112 VAL H . 16520 1 986 . 1 1 112 112 VAL HA H 1 4.798 0.02 . 1 . . . . 112 VAL HA . 16520 1 987 . 1 1 112 112 VAL HB H 1 2.087 0.02 . 1 . . . . 112 VAL HB . 16520 1 988 . 1 1 112 112 VAL HG11 H 1 1.012 0.02 . 2 . . . . 112 VAL QG1 . 16520 1 989 . 1 1 112 112 VAL HG12 H 1 1.012 0.02 . 2 . . . . 112 VAL QG1 . 16520 1 990 . 1 1 112 112 VAL HG13 H 1 1.012 0.02 . 2 . . . . 112 VAL QG1 . 16520 1 991 . 1 1 112 112 VAL HG21 H 1 1.112 0.02 . 2 . . . . 112 VAL QG2 . 16520 1 992 . 1 1 112 112 VAL HG22 H 1 1.112 0.02 . 2 . . . . 112 VAL QG2 . 16520 1 993 . 1 1 112 112 VAL HG23 H 1 1.112 0.02 . 2 . . . . 112 VAL QG2 . 16520 1 994 . 1 1 112 112 VAL C C 13 174.226 0.100 . 1 . . . . 112 VAL C . 16520 1 995 . 1 1 112 112 VAL CA C 13 60.643 0.100 . 1 . . . . 112 VAL CA . 16520 1 996 . 1 1 112 112 VAL CB C 13 34.305 0.100 . 1 . . . . 112 VAL CB . 16520 1 997 . 1 1 112 112 VAL CG1 C 13 21.484 0.100 . 1 . . . . 112 VAL CG1 . 16520 1 998 . 1 1 112 112 VAL CG2 C 13 22.455 0.100 . 1 . . . . 112 VAL CG2 . 16520 1 999 . 1 1 112 112 VAL N N 15 125.918 0.100 . 1 . . . . 112 VAL N . 16520 1 1000 . 1 1 113 113 SER H H 1 8.781 0.02 . 1 . . . . 113 SER H . 16520 1 1001 . 1 1 113 113 SER HA H 1 5.068 0.02 . 1 . . . . 113 SER HA . 16520 1 1002 . 1 1 113 113 SER HB2 H 1 3.963 0.02 . 2 . . . . 113 SER HB2 . 16520 1 1003 . 1 1 113 113 SER HB3 H 1 3.887 0.02 . 2 . . . . 113 SER HB3 . 16520 1 1004 . 1 1 113 113 SER C C 13 173.469 0.100 . 1 . . . . 113 SER C . 16520 1 1005 . 1 1 113 113 SER CA C 13 57.074 0.100 . 1 . . . . 113 SER CA . 16520 1 1006 . 1 1 113 113 SER CB C 13 64.516 0.100 . 1 . . . . 113 SER CB . 16520 1 1007 . 1 1 113 113 SER N N 15 121.950 0.100 . 1 . . . . 113 SER N . 16520 1 1008 . 1 1 114 114 LEU H H 1 9.348 0.02 . 1 . . . . 114 LEU H . 16520 1 1009 . 1 1 114 114 LEU HA H 1 5.085 0.02 . 1 . . . . 114 LEU HA . 16520 1 1010 . 1 1 114 114 LEU HB2 H 1 1.881 0.02 . 2 . . . . 114 LEU HB2 . 16520 1 1011 . 1 1 114 114 LEU HB3 H 1 1.140 0.02 . 2 . . . . 114 LEU HB3 . 16520 1 1012 . 1 1 114 114 LEU HD11 H 1 0.653 0.02 . 2 . . . . 114 LEU QD1 . 16520 1 1013 . 1 1 114 114 LEU HD12 H 1 0.653 0.02 . 2 . . . . 114 LEU QD1 . 16520 1 1014 . 1 1 114 114 LEU HD13 H 1 0.653 0.02 . 2 . . . . 114 LEU QD1 . 16520 1 1015 . 1 1 114 114 LEU HD21 H 1 0.929 0.02 . 2 . . . . 114 LEU QD2 . 16520 1 1016 . 1 1 114 114 LEU HD22 H 1 0.929 0.02 . 2 . . . . 114 LEU QD2 . 16520 1 1017 . 1 1 114 114 LEU HD23 H 1 0.929 0.02 . 2 . . . . 114 LEU QD2 . 16520 1 1018 . 1 1 114 114 LEU HG H 1 1.687 0.02 . 1 . . . . 114 LEU HG . 16520 1 1019 . 1 1 114 114 LEU C C 13 175.034 0.100 . 1 . . . . 114 LEU C . 16520 1 1020 . 1 1 114 114 LEU CA C 13 53.403 0.100 . 1 . . . . 114 LEU CA . 16520 1 1021 . 1 1 114 114 LEU CB C 13 44.663 0.100 . 1 . . . . 114 LEU CB . 16520 1 1022 . 1 1 114 114 LEU CD1 C 13 26.938 0.100 . 1 . . . . 114 LEU CD1 . 16520 1 1023 . 1 1 114 114 LEU CD2 C 13 25.132 0.100 . 1 . . . . 114 LEU CD2 . 16520 1 1024 . 1 1 114 114 LEU CG C 13 26.984 0.100 . 1 . . . . 114 LEU CG . 16520 1 1025 . 1 1 114 114 LEU N N 15 126.051 0.100 . 1 . . . . 114 LEU N . 16520 1 1026 . 1 1 115 115 LEU H H 1 8.438 0.02 . 1 . . . . 115 LEU H . 16520 1 1027 . 1 1 115 115 LEU HA H 1 5.332 0.02 . 1 . . . . 115 LEU HA . 16520 1 1028 . 1 1 115 115 LEU HB2 H 1 1.421 0.02 . 2 . . . . 115 LEU HB2 . 16520 1 1029 . 1 1 115 115 LEU HB3 H 1 1.785 0.02 . 2 . . . . 115 LEU HB3 . 16520 1 1030 . 1 1 115 115 LEU HD11 H 1 0.812 0.02 . 2 . . . . 115 LEU QD1 . 16520 1 1031 . 1 1 115 115 LEU HD12 H 1 0.812 0.02 . 2 . . . . 115 LEU QD1 . 16520 1 1032 . 1 1 115 115 LEU HD13 H 1 0.812 0.02 . 2 . . . . 115 LEU QD1 . 16520 1 1033 . 1 1 115 115 LEU HD21 H 1 0.860 0.02 . 2 . . . . 115 LEU QD2 . 16520 1 1034 . 1 1 115 115 LEU HD22 H 1 0.860 0.02 . 2 . . . . 115 LEU QD2 . 16520 1 1035 . 1 1 115 115 LEU HD23 H 1 0.860 0.02 . 2 . . . . 115 LEU QD2 . 16520 1 1036 . 1 1 115 115 LEU HG H 1 1.348 0.02 . 1 . . . . 115 LEU HG . 16520 1 1037 . 1 1 115 115 LEU C C 13 176.162 0.100 . 1 . . . . 115 LEU C . 16520 1 1038 . 1 1 115 115 LEU CA C 13 54.570 0.100 . 1 . . . . 115 LEU CA . 16520 1 1039 . 1 1 115 115 LEU CB C 13 44.663 0.100 . 1 . . . . 115 LEU CB . 16520 1 1040 . 1 1 115 115 LEU CD1 C 13 25.367 0.100 . 1 . . . . 115 LEU CD1 . 16520 1 1041 . 1 1 115 115 LEU CD2 C 13 23.439 0.100 . 1 . . . . 115 LEU CD2 . 16520 1 1042 . 1 1 115 115 LEU CG C 13 28.180 0.100 . 1 . . . . 115 LEU CG . 16520 1 1043 . 1 1 115 115 LEU N N 15 126.466 0.100 . 1 . . . . 115 LEU N . 16520 1 1044 . 1 1 116 116 VAL H H 1 9.134 0.02 . 1 . . . . 116 VAL H . 16520 1 1045 . 1 1 116 116 VAL HA H 1 5.604 0.02 . 1 . . . . 116 VAL HA . 16520 1 1046 . 1 1 116 116 VAL HB H 1 1.999 0.02 . 1 . . . . 116 VAL HB . 16520 1 1047 . 1 1 116 116 VAL HG11 H 1 0.741 0.02 . 2 . . . . 116 VAL QG1 . 16520 1 1048 . 1 1 116 116 VAL HG12 H 1 0.741 0.02 . 2 . . . . 116 VAL QG1 . 16520 1 1049 . 1 1 116 116 VAL HG13 H 1 0.741 0.02 . 2 . . . . 116 VAL QG1 . 16520 1 1050 . 1 1 116 116 VAL HG21 H 1 0.779 0.02 . 2 . . . . 116 VAL QG2 . 16520 1 1051 . 1 1 116 116 VAL HG22 H 1 0.779 0.02 . 2 . . . . 116 VAL QG2 . 16520 1 1052 . 1 1 116 116 VAL HG23 H 1 0.779 0.02 . 2 . . . . 116 VAL QG2 . 16520 1 1053 . 1 1 116 116 VAL C C 13 173.805 0.100 . 1 . . . . 116 VAL C . 16520 1 1054 . 1 1 116 116 VAL CA C 13 58.289 0.100 . 1 . . . . 116 VAL CA . 16520 1 1055 . 1 1 116 116 VAL CB C 13 35.600 0.100 . 1 . . . . 116 VAL CB . 16520 1 1056 . 1 1 116 116 VAL CG1 C 13 21.406 0.100 . 1 . . . . 116 VAL CG1 . 16520 1 1057 . 1 1 116 116 VAL CG2 C 13 19.232 0.100 . 1 . . . . 116 VAL CG2 . 16520 1 1058 . 1 1 116 116 VAL N N 15 120.672 0.100 . 1 . . . . 116 VAL N . 16520 1 1059 . 1 1 117 117 PHE H H 1 9.364 0.02 . 1 . . . . 117 PHE H . 16520 1 1060 . 1 1 117 117 PHE HA H 1 5.439 0.02 . 1 . . . . 117 PHE HA . 16520 1 1061 . 1 1 117 117 PHE HB2 H 1 2.914 0.02 . 2 . . . . 117 PHE HB2 . 16520 1 1062 . 1 1 117 117 PHE HB3 H 1 2.914 0.02 . 2 . . . . 117 PHE HB3 . 16520 1 1063 . 1 1 117 117 PHE HD1 H 1 7.054 0.02 . 1 . . . . 117 PHE HD1 . 16520 1 1064 . 1 1 117 117 PHE HD2 H 1 7.054 0.02 . 1 . . . . 117 PHE HD2 . 16520 1 1065 . 1 1 117 117 PHE HE1 H 1 7.244 0.02 . 1 . . . . 117 PHE HE1 . 16520 1 1066 . 1 1 117 117 PHE HE2 H 1 7.244 0.02 . 1 . . . . 117 PHE HE2 . 16520 1 1067 . 1 1 117 117 PHE HZ H 1 7.213 0.02 . 1 . . . . 117 PHE HZ . 16520 1 1068 . 1 1 117 117 PHE C C 13 173.856 0.100 . 1 . . . . 117 PHE C . 16520 1 1069 . 1 1 117 117 PHE CA C 13 56.331 0.100 . 1 . . . . 117 PHE CA . 16520 1 1070 . 1 1 117 117 PHE CB C 13 43.045 0.100 . 1 . . . . 117 PHE CB . 16520 1 1071 . 1 1 117 117 PHE CD1 C 13 131.532 0.100 . 1 . . . . 117 PHE CD1 . 16520 1 1072 . 1 1 117 117 PHE CE1 C 13 131.532 0.100 . 1 . . . . 117 PHE CE1 . 16520 1 1073 . 1 1 117 117 PHE CZ C 13 129.978 0.100 . 1 . . . . 117 PHE CZ . 16520 1 1074 . 1 1 117 117 PHE N N 15 121.071 0.100 . 1 . . . . 117 PHE N . 16520 1 1075 . 1 1 118 118 ARG H H 1 8.783 0.02 . 1 . . . . 118 ARG H . 16520 1 1076 . 1 1 118 118 ARG HA H 1 4.563 0.02 . 1 . . . . 118 ARG HA . 16520 1 1077 . 1 1 118 118 ARG HB2 H 1 1.527 0.02 . 2 . . . . 118 ARG HB2 . 16520 1 1078 . 1 1 118 118 ARG HD2 H 1 2.852 0.02 . 2 . . . . 118 ARG HD2 . 16520 1 1079 . 1 1 118 118 ARG HD3 H 1 3.240 0.02 . 2 . . . . 118 ARG HD3 . 16520 1 1080 . 1 1 118 118 ARG HE H 1 9.535 0.02 . 1 . . . . 118 ARG HE . 16520 1 1081 . 1 1 118 118 ARG C C 13 173.974 0.100 . 1 . . . . 118 ARG C . 16520 1 1082 . 1 1 118 118 ARG CA C 13 54.629 0.100 . 1 . . . . 118 ARG CA . 16520 1 1083 . 1 1 118 118 ARG CB C 13 33.742 0.100 . 1 . . . . 118 ARG CB . 16520 1 1084 . 1 1 118 118 ARG CD C 13 43.148 0.100 . 1 . . . . 118 ARG CD . 16520 1 1085 . 1 1 118 118 ARG N N 15 131.025 0.100 . 1 . . . . 118 ARG N . 16520 1 1086 . 1 1 118 118 ARG NE N 15 84.484 0.100 . 1 . . . . 118 ARG NE . 16520 1 1087 . 1 1 119 119 GLN H H 1 8.671 0.02 . 1 . . . . 119 GLN H . 16520 1 1088 . 1 1 119 119 GLN HA H 1 4.342 0.02 . 1 . . . . 119 GLN HA . 16520 1 1089 . 1 1 119 119 GLN HB2 H 1 2.104 0.02 . 2 . . . . 119 GLN HB2 . 16520 1 1090 . 1 1 119 119 GLN HE21 H 1 7.680 0.02 . 2 . . . . 119 GLN HE21 . 16520 1 1091 . 1 1 119 119 GLN HE22 H 1 6.939 0.02 . 2 . . . . 119 GLN HE22 . 16520 1 1092 . 1 1 119 119 GLN HG2 H 1 2.415 0.02 . 2 . . . . 119 GLN HG2 . 16520 1 1093 . 1 1 119 119 GLN C C 13 174.134 0.100 . 1 . . . . 119 GLN C . 16520 1 1094 . 1 1 119 119 GLN CA C 13 55.945 0.100 . 1 . . . . 119 GLN CA . 16520 1 1095 . 1 1 119 119 GLN CB C 13 30.355 0.100 . 1 . . . . 119 GLN CB . 16520 1 1096 . 1 1 119 119 GLN CG C 13 34.305 0.100 . 1 . . . . 119 GLN CG . 16520 1 1097 . 1 1 119 119 GLN N N 15 126.585 0.100 . 1 . . . . 119 GLN N . 16520 1 1098 . 1 1 119 119 GLN NE2 N 15 112.194 0.100 . 1 . . . . 119 GLN NE2 . 16520 1 1099 . 1 1 120 120 GLU H H 1 8.554 0.02 . 1 . . . . 120 GLU H . 16520 1 1100 . 1 1 120 120 GLU HA H 1 4.396 0.02 . 1 . . . . 120 GLU HA . 16520 1 1101 . 1 1 120 120 GLU HB2 H 1 1.866 0.02 . 2 . . . . 120 GLU HB2 . 16520 1 1102 . 1 1 120 120 GLU HB3 H 1 2.057 0.02 . 2 . . . . 120 GLU HB3 . 16520 1 1103 . 1 1 120 120 GLU C C 13 174.647 0.100 . 1 . . . . 120 GLU C . 16520 1 1104 . 1 1 120 120 GLU CA C 13 56.568 0.100 . 1 . . . . 120 GLU CA . 16520 1 1105 . 1 1 120 120 GLU CB C 13 31.356 0.100 . 1 . . . . 120 GLU CB . 16520 1 1106 . 1 1 120 120 GLU N N 15 123.404 0.100 . 1 . . . . 120 GLU N . 16520 1 1107 . 1 1 121 121 ASP H H 1 8.101 0.02 . 1 . . . . 121 ASP H . 16520 1 1108 . 1 1 121 121 ASP N N 15 127.118 0.100 . 1 . . . . 121 ASP N . 16520 1 stop_ save_